SCHEMBL111245

SCHEMBL111245

O=C(Nc1ccncc1)c1ccccc1N1CCN(C(=O)Cc2cccc3cccnc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
EGLN1 Q9GZT9 3/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
RBP4 P02753 1/20 0.43
PRKCI P41743 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL113789 0.79 CXCR3 (0.51) TRPV1PRKCIKMT2AKDM4EALDH1A1
SCHEMBL3105119 0.79 TRPV1 (0.50) TRPV1PRKCIKMT2AKDM4EALDH1A1
SCHEMBL114193 0.78 MAPT (0.46) TRPV1KMT2AKDM4EALDH1A1MEN1
SCHEMBL114767 0.78 CDK8 (0.44) TRPV1NPC1RAB9AKDM4EALDH1A1
SCHEMBL167315 0.78 MAPT (0.45) TRPV1NPC1RAB9APRKCIKDM4E
SCHEMBL160071 0.77 HTT (0.60) TRPV1KMT2AKDM4EALDH1A1MEN1
SCHEMBL112720 0.77 TRPV1 (0.42) TRPV1PRKCIKMT2AALDH1A1MAPT
SCHEMBL111857 0.76 TRPV1 (0.47) TRPV1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL111377 0.76 CXCR3 (0.46) TRPV1RAB9AKMT2AALDH1A1MEN1
SCHEMBL112787 0.76 TYK2 (0.43) TRPV1MAPTLMNAL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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 (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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 TRPV1 332/4885EGLN1 2934/4885NPC1 719/4885

“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.