SCHEMBL611713

SCHEMBL611713

CN(C)Cc1ccc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL31093399 1.00 ALDH1A1 (0.47) ALDH1A1CHRNB2CHRNA4HRH3L3MBTL1
SCHEMBL31093396 1.00 ALDH1A1 (0.47) ALDH1A1CHRNB2CHRNA4HRH3L3MBTL1
SCHEMBL29607692 0.88 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL28473856 0.88 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL14641819 0.81 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL5048925 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL5048184 0.80 HRH3 (0.50) ALDH1A1CHRNB2CHRNA4HRH3L3MBTL1
SCHEMBL13536859 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL9321540 0.79 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL7845108 0.78 HRH3 (0.50) ALDH1A1CHRNB2CHRNA4HRH3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024167927-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF REVERIE LABS, INC. (US) 2024-08-15 WO disclosed
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
EP-2709997-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-03-26 EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
CN-1759116-A Pyridyloxymethyl and benzisoxazole azabicyclic derivatives PFIZER (US) 2006-04-12 CN disclosed
CN-1745078-A Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2006-03-08 CN disclosed
EP-1608648-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES Pfizer Products Inc. (US) 2005-12-28 EP disclosed
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
US-20050026922-A1 For treating CNS or other disorders, including concurrent treatment of disorders such as schizophrenia and depression; side effect reduction; for example, (7R,9aS)-trans-7-[6-(2,6-Dimethyl-piperidin-1-ylmethyl)-pyridin-2-yloxymethyl]-2-(5-fluoro-benzo[d]isoxazol-3-yl)-octahydro-pyrido[1,2-a]pyrazine PFIZER INC 2005-02-03 US disclosed
WO-2004081007-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-09-23 WO disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO disclosed
EP-0609811-B1 Process for preparing 2-chloro-5-aminomethyl-pyridines KOEI CHEMICAL CO (JP) 1998-04-15 EP disclosed
US-5424437-A Process for preparing a 2-chloro-5-aminomethyl-pyridine KOEI CHEMICAL CO., LTD. (JP) 1995-06-13 US disclosed
EP-0609811-A1 Process for preparing 2-chloro-5-aminomethyl-pyridine KOEI CHEMICAL CO., Ltd. (JP) 1994-08-10 EP 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 (2 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-20050026922-A1 For treating CNS or other disorders, including concurrent treatment of disorders such as schizophrenia and depression; side effect reduction; for example, (7R,9aS)-trans-7-[6-(2,6-Dimethyl-piperidin-1-ylmethyl)-pyridin-2-yloxymethyl]-2-(5-fluoro-benzo[d]isoxazol-3-yl)-octahydro-pyrido[1,2-a]pyrazine GRM7, GRIN2C, HTR7 ALDH1A1 718/4885CHRNB2 116/4885CHRNA4 59/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ALDH1A1 4422/4885CHRNB2 4010/4885CHRNA4 3568/4885

“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.