SCHEMBL2274129

SCHEMBL2274129

O=C(O)c1cnc(N2CCC(CC(=O)N3CCC(O)CC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.53
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RORC P51449 2/20 0.40
F10 P00742 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 2/20 0.38
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMO Q99835 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
SCHEMBL2271426 0.92 CXCR3 (0.62) CXCR3RORCF10MEN1KMT2A
SCHEMBL2279278 0.91 CXCR3 (0.53) CXCR3RORCF10
SCHEMBL12515724 0.90 CXCR3 (0.53) CXCR3RORCF10MEN1KMT2A
SCHEMBL2271128 0.88 CXCR3 (0.51) CXCR3RORCMEN1KMT2ACYP3A4
SCHEMBL2274127 0.87 CXCR3 (0.51) CXCR3MAPTLMNARORCF10
SCHEMBL2362379 0.85 CXCR3 (0.54) CXCR3RORCF10
SCHEMBL16448966 0.85 CXCR3 (0.61) CXCR3MAPTLMNATDP1RORC
SCHEMBL16448964 0.85 CXCR3 (0.61) CXCR3MAPTLMNATDP1RORC
SCHEMBL2268986 0.84 CXCR3 (0.62) CXCR3MAPTLMNAMEN1KMT2A
SCHEMBL2269790 0.83 CXCR3 (0.59) CXCR3MAPTLMNARORCMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885MAPT 4757/4885LMNA 3445/4885

“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.