SCHEMBL3316244

SCHEMBL3316244

CC(C)(C)C(=O)N1CCC(CBr)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.38
DPP4 P27487 1/20 0.37
AOC2 O75106 1/20 0.37
CNR2 P34972 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
RIPK1 Q13546 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL15945549 0.82 THRA (0.42) CXCR3DPP4AOC2CNR2DRD2
SCHEMBL10215111 0.82 AOC2 (0.43) CXCR3DPP4AOC2CNR2DRD2
SCHEMBL3316595 0.82 EPHX2 (0.41) CXCR3DPP4AOC2CNR2DRD2
SCHEMBL18997472 0.81 GNAI3 (0.43) CXCR3DPP4AOC2CNR2DRD2
SCHEMBL20439114 0.81 CHRM2 (0.49) CXCR3DPP4AOC2CNR2DRD2
SCHEMBL3119356 0.79 ALDH1A1 (0.39) CXCR3AOC2CNR2DRD2DRD4
SCHEMBL13223499 0.78 AOC2 (0.38) CXCR3AOC2CNR2DRD2DRD4
SCHEMBL13597082 0.78 POLB (0.49) DRD2DRD4MEN1KMT2AITGB3
SCHEMBL29223350 0.78 ITGB3 (0.44) CXCR3MEN1KMT2AALDH1A1ITGB3
SCHEMBL14514405 0.78 AOC2 (0.38) CXCR3DPP4AOC2CNR2DRD2

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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF DONG-A-PHARM. CO., LTD. (KR) 2010-04-29 US disclosed
EP-2137152-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Dong-A Pharm.Co., Ltd. (KR) 2009-12-30 EP disclosed
WO-2008114971-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF DONG-A PHARM. CO., LTD. (KR) 2008-09-25 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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF HTR4, HTR1A, TPH1 CXCR3 4740/4885DPP4 324/4885AOC2 4460/4885

“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.