SCHEMBL3979358

SCHEMBL3979358

CC(C)(C)OC(=O)N1CCC(CNCc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
STS P08842 4/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
FAAH O00519 1/20 0.51
CXCR4 P61073 2/20 0.49
GPR119 Q8TDV5 1/20 0.48
NR1D1 P20393 1/20 0.47
TGFBR1 P36897 1/20 0.47
VEGFA P15692 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL653520 0.93 HTT (0.54) KDM4EPKMNPSR1HTTSMN1; SMN2
SCHEMBL653519 0.93 HTT (0.54) KDM4EPKMNPSR1HTTSMN1; SMN2
SCHEMBL18129120 0.88 KDM4E (0.57) KDM4EPKMSTSMEN1KMT2A
SCHEMBL7985552 0.88 KDM4E (0.69) KDM4EPKMSMN1; SMN2STSCXCR4
SCHEMBL13930883 0.87 NPC1 (0.59) KDM4EPKMNPSR1HTTSMN1; SMN2
SCHEMBL8350723 0.86 KDM4E (0.64) KDM4EPKMSTSGPR119TGFBR1
Hydrochloric Acid SCHEMBL1856109 0.85 TGFBR1 (0.57) KDM4EPKMSMN1; SMN2STSMEN1
SCHEMBL3155704 0.85 STS (0.56) KDM4EPKMNPSR1HTTSMN1; SMN2
SCHEMBL652849 0.84 HTT (0.57) KDM4ENPSR1HTTSMN1; SMN2STS
SCHEMBL3083337 0.84 KDM4E (0.58) KDM4EPKMHTTSTSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517991-B2 N-sulfonylpiperidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
EP-1814550-A2 N-SULFONYLPIPERIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2007-08-08 EP disclosed
WO-2006044362-A2 N-SULFONYLPIPERIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-27 WO disclosed
US-20060079556-A1 N-sulfonylpiperidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-04-13 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-20060079556-A1 N-sulfonylpiperidine cannabinoid receptor 1 antagonists CNR1, CNR2, NPY1R KDM4E 2122/4885PKM 3378/4885NPSR1 7/4885

“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.