SCHEMBL3353359

SCHEMBL3353359

OCC1(O)CCN(C2CCNCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
ESR2 Q92731 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL14017644 0.80 HRH3 (0.34) HRH3L3MBTL3L3MBTL1ARG1ARG2
SCHEMBL2158111 0.79 HRH3 (0.36) HRH3L3MBTL3L3MBTL1HPGDKMT2A
SCHEMBL13432054 0.78 ALDH1A1 (0.37) HRH3ESR2L3MBTL3L3MBTL1KMT2A
SCHEMBL17692977 0.73 HRH3 (0.39) HRH3L3MBTL3L3MBTL1
SCHEMBL15710120 0.72 HRH3 (0.34) HRH3L3MBTL3L3MBTL1HPGDKMT2A
SCHEMBL15710119 0.72 HRH3 (0.34) HRH3L3MBTL3L3MBTL1HPGDKMT2A
SCHEMBL13381568 0.72 CYP2D6 (0.40) HRH3L3MBTL3L3MBTL1HPGDKMT2A
SCHEMBL4481058 0.72 HRH3 (0.34) HRH3L3MBTL3L3MBTL1HPGDKMT2A
SCHEMBL521969 0.72 HRH3 (0.39) HRH3L3MBTL3L3MBTL1HPGDKMT2A
SCHEMBL31306492 0.72 GBA1 (0.36) HRH3L3MBTL3L3MBTL1HPGDKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
EP-1992349-A1 CGRP antagonists, their preparation and use as a medicament Boehringer Ingelheim International GmbH (DE) 2008-11-19 EP disclosed
EP-1863791-B1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2008-11-12 EP disclosed
EP-1740577-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-10 EP disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
WO-2005103037-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO 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 (1 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-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA HRH3 160/4885ESR2 1508/4885L3MBTL3 4805/4885

“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.