SCHEMBL2269790

SCHEMBL2269790

COC1CCN(C(=O)CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.59
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
RORC P51449 4/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMO Q99835 1/20 0.39
GPR6 P46095 1/20 0.39

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
SCHEMBL12516565 0.93 CXCR3 (0.52) CXCR3FNTAFNTBRORCUSP2
SCHEMBL16448964 0.92 CXCR3 (0.61) CXCR3FNTAFNTBRORCMAPT
SCHEMBL16448966 0.92 CXCR3 (0.61) CXCR3FNTAFNTBRORCUSP2
SCHEMBL2270048 0.92 CXCR3 (0.52) CXCR3FNTAFNTBRORCUSP2
SCHEMBL2268437 0.92 CXCR3 (0.51) CXCR3FNTAFNTBRORCUSP2
SCHEMBL2271426 0.91 CXCR3 (0.62) CXCR3RORCCYP1A2CYP3A4CYP2D6
SCHEMBL2268986 0.90 CXCR3 (0.62) CXCR3MAPTLMNATP53MEN1
SCHEMBL2268395 0.88 CXCR3 (0.63) CXCR3USP2MAPK1MAPTLMNA
SCHEMBL2278342 0.87 CXCR3 (0.58) CXCR3FNTAFNTBCYP1A2CYP3A4
SCHEMBL2268321 0.87 CXCR3 (0.66) CXCR3USP2MAPK1MAPTLMNA

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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885FNTA 3491/4885FNTB 2272/4885

“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.