SCHEMBL3731402

SCHEMBL3731402

CCOc1cccc(-c2ccccc2N2CCN(C(=O)Cn3nc(C)cc3C)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.75
KCNH2 Q12809 1/20 0.75
TSHR P16473 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 4/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
CCKAR P32238 2/20 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
SCHEMBL3733638 0.91 CXCR3 (0.78) CXCR3KCNH2TSHRNPSR1L3MBTL1
SCHEMBL3732576 0.91 CXCR3 (0.78) CXCR3KCNH2L3MBTL1ALDH1A1LMNA
SCHEMBL3732867 0.87 CXCR3 (0.88) CXCR3KCNH2TSHRALOX15ALDH1A1
SCHEMBL112559 0.86 CXCR3 (1.00) CXCR3KCNH2TSHRALDH1A1LMNA
SCHEMBL3734848 0.86 CXCR3 (0.74) CXCR3KCNH2TSHRL3MBTL1ALDH1A1
SCHEMBL13077196 0.86 CXCR3 (0.83) CXCR3KCNH2TSHRALOX15ALDH1A1
SCHEMBL3728662 0.85 CXCR3 (0.72) CXCR3KCNH2TSHRL3MBTL1ALDH1A1
SCHEMBL3726536 0.85 CXCR3 (0.81) CXCR3KCNH2TSHRL3MBTL1ALDH1A1
SCHEMBL3732650 0.85 CXCR3 (0.96) CXCR3KCNH2TSHRALDH1A1LMNA
SCHEMBL3735286 0.84 CXCR3 (0.80) CXCR3KCNH2TSHRALDH1A1LMNA

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 1561/4885TSHR 575/4885

“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.