SCHEMBL420296

SCHEMBL420296

CNC1(C#N)CCC(OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
OPRL1 P41146 2/20 0.53
DPP4 P27487 1/20 0.50
CARM1 Q86X55 3/20 0.48
PRMT6 Q96LA8 3/20 0.48
SIGMAR1 Q99720 2/20 0.48
PRMT8 Q9NR22 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
NAAA Q02083 7/20 0.41
PRMT3 O60678 1/20 0.39
EPHX2 P34913 1/20 0.39
CTSS P25774 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5402661 0.79 OPRM1 (0.62) OPRM1OPRL1DPP4CARM1PRMT6
SCHEMBL1551563 0.79 OPRM1 (0.55) OPRM1OPRL1DPP4CARM1PRMT6
SCHEMBL28093355 0.78 OPRM1 (0.50) OPRM1OPRL1DPP4CARM1PRMT6
SCHEMBL14661931 0.76 OPRM1 (0.51) OPRM1OPRL1DPP4CARM1PRMT6
SCHEMBL27377417 0.76 OPRM1 (0.51) OPRM1OPRL1DPP4CARM1PRMT6
SCHEMBL14661822 0.75 OPRM1 (0.47) OPRM1OPRL1DPP4CARM1PRMT6
SCHEMBL27377408 0.74 OPRM1 (0.49) OPRM1OPRL1DPP4CARM1PRMT6
SCHEMBL22488577 0.73 OPRM1 (0.61) OPRM1OPRL1DPP4CARM1PRMT6
SCHEMBL5321273 0.73 CARM1 (0.40) CARM1PRMT6SIGMAR1
SCHEMBL1551250 0.73 OPRM1 (0.61) OPRM1OPRL1DPP4CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 OPRM1 2843/4885OPRL1 3900/4885DPP4 1151/4885

“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.