SCHEMBL112116

SCHEMBL112116

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cnccn3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.57
KCNH2 Q12809 1/20 0.57
ALDH1A1 P00352 2/20 0.42
NAMPT P43490 1/20 0.41
TP53 P04637 3/20 0.40
TRPV4 Q9HBA0 1/20 0.40
LMNA P02545 1/20 0.39
LRRK2 Q5S007 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 1/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL111831 0.91 CXCR3 (0.61) CXCR3KCNH2ALDH1A1TP53LMNA
SCHEMBL111942 0.89 CXCR3 (0.58) CXCR3KCNH2ALDH1A1NAMPTTP53
SCHEMBL110415 0.87 CXCR3 (0.58) CXCR3KCNH2ALDH1A1NAMPTTP53
SCHEMBL115589 0.86 CXCR3 (0.62) CXCR3KCNH2ALDH1A1NAMPTLMNA
SCHEMBL111833 0.85 CXCR3 (0.61) CXCR3KCNH2ALDH1A1NAMPTLMNA
SCHEMBL111058 0.84 CXCR3 (0.55) CXCR3KCNH2ALDH1A1NAMPTTP53
SCHEMBL111889 0.84 CXCR3 (0.67) CXCR3KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL110498 0.84 CXCR3 (0.59) CXCR3KCNH2ALDH1A1TP53LMNA
SCHEMBL111164 0.84 CXCR3 (0.59) CXCR3KCNH2ALDH1A1TP53LMNA
SCHEMBL111619 0.83 CXCR3 (0.58) CXCR3KCNH2ALDH1A1NAMPTLMNA

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 CXCR3 1/4885KCNH2 1384/4885ALDH1A1 1720/4885

“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.