SCHEMBL3735631

SCHEMBL3735631

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

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.78
KCNH2 Q12809 1/20 0.78
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 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
SCHEMBL3740276 0.90 CXCR3 (0.84) CXCR3KCNH2ALDH1A1LMNAKMT2A
SCHEMBL3740353 0.89 CXCR3 (0.85) CXCR3KCNH2ALDH1A1LMNAKMT2A
SCHEMBL3735739 0.88 CXCR3 (0.88) CXCR3KCNH2ALDH1A1LMNAKMT2A
SCHEMBL3730735 0.88 CXCR3 (0.88) CXCR3KCNH2ALDH1A1LMNAKMT2A
SCHEMBL3732650 0.88 CXCR3 (0.96) CXCR3KCNH2HTR1ADRD2ALDH1A1
SCHEMBL112559 0.88 CXCR3 (1.00) CXCR3KCNH2HTR1ADRD2ALDH1A1
SCHEMBL3739895 0.87 CXCR3 (0.78) CXCR3KCNH2DRD2ALDH1A1LMNA
SCHEMBL3726591 0.86 CXCR3 (0.84) CXCR3KCNH2ALDH1A1LMNAKMT2A
SCHEMBL3742966 0.86 CXCR3 (0.84) CXCR3KCNH2HTR7ALDH1A1LMNA
SCHEMBL15925501 0.85 CXCR3 (0.83) CXCR3KCNH2ALDH1A1LMNAKMT2A

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-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP claimed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US claimed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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 1561/4885HTR1A 577/4885

“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.