SCHEMBL17465633

SCHEMBL17465633

CCC1(c2ccccc2)CCN(C(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.64
GRIN2D O15399 1/20 0.64
GRIN3B O60391 1/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
GRIN1 Q05586 1/20 0.64
KCNH2 Q12809 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
GRIN3A Q8TCU5 1/20 0.64
ALDH1A1 P00352 1/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
OPRL1 P41146 4/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
DPP4 P27487 1/20 0.38
SLC6A4 P31645 4/20 0.38

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
SCHEMBL3325272 0.85 OPRM1 (0.67) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17281991 0.82 SLC6A4 (0.61) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17886564 0.81 OPRM1 (0.61) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL12894216 0.80 OPRM1 (0.52) OPRM1CHRM2CHRM1KCNH2MAOA
SCHEMBL19220881 0.80 OPRM1 (0.55) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL15955086 0.79 MAOA (0.60) OPRM1CHRM2CHRM1MAOAMAOB
SCHEMBL17886575 0.79 OPRM1 (0.58) OPRM1GRIN2DGRIN3BCHRM2CHRM1
Budipine SCHEMBL120041 0.78 OPRM1 (1.00) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17282093 0.77 OPRM1 (0.53) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL4814046 0.77 P2RX7 (0.55) 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.