SCHEMBL3726591

SCHEMBL3726591

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.84
KCNH2 Q12809 1/20 0.84
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
USP2 O75604 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 4/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TACR3 P29371 1/20 0.45
POLB P06746 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
SCHEMBL3735739 0.92 CXCR3 (0.88) CXCR3KCNH2KDM4EMAPTHTT
SCHEMBL3732650 0.92 CXCR3 (0.96) CXCR3KCNH2KDM4EMAPTHTT
SCHEMBL3730735 0.92 CXCR3 (0.88) CXCR3KCNH2KDM4EMAPTHTT
SCHEMBL112559 0.92 CXCR3 (1.00) CXCR3KCNH2MAPTTP53ALDH1A1
SCHEMBL3726536 0.90 CXCR3 (0.81) CXCR3KCNH2RAB9AKDM4EMAPT
SCHEMBL3728457 0.90 CXCR3 (0.81) CXCR3KCNH2KDM4EMAPTHTT
SCHEMBL3740276 0.90 CXCR3 (0.84) CXCR3KCNH2KDM4EMAPTHTT
SCHEMBL3742966 0.90 CXCR3 (0.84) CXCR3KCNH2MAPTHTTTP53
SCHEMBL3741647 0.89 CXCR3 (0.83) CXCR3KCNH2RAB9AMAPTTP53
SCHEMBL15925501 0.89 CXCR3 (0.83) CXCR3KCNH2MAPTTP53SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1561/4885RAB9A 1661/4885

“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.