SCHEMBL1709124

SCHEMBL1709124

Nc1c(NC2CCN(Cc3ccccc3)CC2)cnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
NTSR1 P30989 1/20 0.57
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
GBA1 P04062 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SSTR5 P35346 1/20 0.48
NSD2 O96028 1/20 0.48
EZH2 Q15910 1/20 0.48

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
SCHEMBL10059770 0.78 KDM4E (0.55) MAPTKMT2AKDM4EGAAHRH3
SCHEMBL6071484 0.77 HRH3 (0.57) LMNAMAPTKMT2AHTTNPSR1
SCHEMBL5671677 0.76 KDM4E (0.70) MAPTKMT2AKDM4EGAAHRH3
SCHEMBL8096295 0.75 LMNA (0.58) LMNAMAPTKMT2AHTTNPSR1
Hydrochloric Acid SCHEMBL11102409 0.75 KDM4E (0.68) MAPTKDM4EGAAHRH3ROCK2
SCHEMBL1198252 0.75 ROCK2 (0.66) LMNAMAPTKMT2AKDM4EGAA
SCHEMBL6819009 0.73 KDM4E (0.61) LMNAMAPTKMT2ANPSR1KDM4E
SCHEMBL13793117 0.72 LMNA (0.61) LMNAMAPTKMT2AHTTNPSR1
SCHEMBL15280230 0.72 LMNA (0.74) LMNAMAPTKMT2AHTTNPSR1
SCHEMBL7007839 0.72 KDM4E (0.64) LMNAMAPTKMT2AHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2379529-B1 CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
WO-2010070022-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO disclosed
EP-2065382-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed
EP-2065381-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 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 (3 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-20110059954-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA LMNA 1054/4885MAPT 757/4885KMT2A 4817/4885
US-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 LMNA 1518/4885MAPT 47/4885KMT2A 4385/4885
US-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA LMNA 1729/4885MAPT 615/4885KMT2A 4840/4885

“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.