SCHEMBL162058

SCHEMBL162058

O=C(Nc1cc(Cl)ccc1C1=CCNCC1)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.53
HTR2C P28335 3/20 0.51
GPR35 Q9HC97 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SERPINE1 P05121 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
BRPF1 P55201 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL84319 0.76 CCNT1 (0.44) KCNMA1HTR2CSERPINE1BRPF1
Hydrochloric Acid SCHEMBL74316 0.76 CCNT1 (0.44) KCNMA1HTR2CSERPINE1BRPF1
SCHEMBL29803327 0.73 NPC1 (0.52) MEN1KMT2A
SCHEMBL29803760 0.73 CCNT1 (0.46) HTR2CSERPINE1BRPF1
SCHEMBL110680 0.72 PDK4 (0.51) KCNMA1MEN1KMT2A
SCHEMBL24670269 0.71 CCNT1 (0.49) BRPF1
SCHEMBL29803449 0.71 CCNT1 (0.49) BRPF1
SCHEMBL24670841 0.71 CCNT1 (0.47) HTR2CBRPF1
SCHEMBL24670993 0.71 HTR2C (0.42) HTR2CSERPINE1
SCHEMBL29803295 0.71 CCNT1 (0.47) HTR2CBRPF1

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 KCNMA1 1159/4885HTR2C 1770/4885GPR35 138/4885

“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.