SCHEMBL17465635

SCHEMBL17465635

COCC1(Cc2ccccc2)CCN(C(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
GRIN1 Q05586 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.39
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
GAA P10253 5/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL16838111 0.83 MEN1 (0.43) OPRM1KCNH2MEN1KMT2ALMNA
SCHEMBL28793512 0.83 OPRM1 (0.51) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL20158869 0.82 MEN1 (0.42) OPRM1MEN1KMT2ALMNAFPR2
SCHEMBL20147375 0.79 MEN1 (0.52) OPRM1CHRM1MEN1KMT2ALMNA
SCHEMBL19157213 0.75 TACR1 (0.45) OPRM1MEN1KMT2AALDH1A1MAOA
SCHEMBL8261420 0.75 OPRM1 (0.56) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL18038697 0.73 GRIN2B (0.44) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17009537 0.73 GRIN2D (0.33) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL22857081 0.71 RET (0.44) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL13333699 0.70 OPRM1 (0.57) OPRM1GRIN2DGRIN3BCHRM2CHRM1

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-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 OPRM1 1187/4885GRIN2D 4089/4885GRIN3B 2533/4885

“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.