SCHEMBL4594209

SCHEMBL4594209

N#CC1CCN(C2CCNCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL3 Q96JM7 2/20 0.31
HTR6 P50406 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM2B Q8NHM5 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL18693366 0.98 SMN1; SMN2 (0.35) JAK2JAK1TYK2KDM4EALDH1A1
SCHEMBL31209562 0.88 HTR6 (0.46) JAK2JAK1TYK2KDM4EALDH1A1
SCHEMBL641487 0.84 KDM4E (0.38) JAK2JAK1TYK2KDM4EALDH1A1
SCHEMBL22878173 0.81
Hydrochloric Acid SCHEMBL18893863 0.79
SCHEMBL20096220 0.78 HRH3 (0.44) HRH3KMT2APOLBL3MBTL3KDM2B
SCHEMBL17284681 0.77 L3MBTL3 (0.34) L3MBTL3HTR6L3MBTL1KDM2B
SCHEMBL102903 0.77
SCHEMBL3159987 0.77 HTR6 (0.41) ALDH1A1HRH3SMN1; SMN2HPGDKMT2A
SCHEMBL15014588 0.75 KDM4E (0.39) JAK2JAK1TYK2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423436-B1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
EP-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 EP disclosed
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-04 US disclosed
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2020-05-12 US disclosed
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use ABBVIE SARL (LU) 2019-10-31 US disclosed
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE SARL (LU) 2019-07-04 US disclosed
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use AbbVie S.à.r.l. (LU) 2019-04-16 US disclosed
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-21 US disclosed
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE GALAPAGOS SASU (FR) 2018-04-19 US disclosed
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE GALAPAGOS SASU (FR) 2018-04-19 US disclosed
US-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 US disclosed
US-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 US disclosed
US-7582625-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-7582625-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
EP-1931647-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-18 EP disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
EP-1770086-A1 Selected CGRP antagonists, process for their preparation as well as their use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP disclosed
US-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
US-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents GPR119, HTR1D, TRPV1 JAK2 922/4885JAK1 815/4885TYK2 424/4885
US-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, BDKRB2 JAK2 4047/4885JAK1 4201/4885TYK2 3939/4885
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use CFTR, CHRM3, P2RY1 JAK2 1216/4885JAK1 666/4885TYK2 1512/4885
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 JAK2 1008/4885JAK1 538/4885TYK2 1410/4885
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, CHRM3, P2RY1 JAK2 1216/4885JAK1 666/4885TYK2 1512/4885
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, XDH, CYP3A43 JAK2 4049/4885JAK1 3604/4885TYK2 3179/4885
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, P2RY1, P2RX5 JAK2 1008/4885JAK1 538/4885TYK2 1410/4885
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 JAK2 1008/4885JAK1 538/4885TYK2 1410/4885
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, XDH, CYP3A43 JAK2 3935/4885JAK1 3681/4885TYK2 3298/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.