SCHEMBL110680

SCHEMBL110680

CC(C)(C)OC(=O)N1CC=C(c2ccc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.51
CNR1 P21554 2/20 0.49
NAMPT P43490 1/20 0.48
SCN9A Q15858 2/20 0.47
DGAT2 Q96PD7 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
JAK1 P23458 1/20 0.45
KCNMA1 Q12791 1/20 0.44
HTR6 P50406 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRM5 P41594 3/20 0.43
GRM1 Q13255 3/20 0.43
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
ANO1 Q5XXA6 1/20 0.41

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
SCHEMBL4825697 0.79 CNR1 (0.54) PDK4CNR1NAMPTSCN9ADGAT2
SCHEMBL19701841 0.79 CNR1 (0.55) PDK4CNR1NAMPTSCN9ADGAT2
SCHEMBL4888709 0.78 CNR1 (0.53) PDK4CNR1NAMPTSCN9ADGAT2
SCHEMBL24671142 0.78 NAMPT (0.52) PDK4CNR1NAMPTSCN9ADGAT2
SCHEMBL29803371 0.78 NAMPT (0.52) PDK4CNR1NAMPTSCN9ADGAT2
SCHEMBL15556190 0.78 CNR1 (0.55) PDK4CNR1NAMPTJAK1HTR6
SCHEMBL31342210 0.78 CNR1 (0.55) PDK4CNR1NAMPTJAK1HTR6
SCHEMBL13261659 0.78 PDK4 (0.56) PDK4CNR1NAMPTHTR6GRM5
SCHEMBL29803533 0.78 WDR5 (0.47) PDK4CNR1NAMPTSCN9ADGAT2
SCHEMBL24671439 0.78 SCN9A (0.46) PDK4CNR1NAMPTSCN9ADGAT2

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 PDK4 2161/4885CNR1 60/4885NAMPT 1460/4885

“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.