SCHEMBL3376754

SCHEMBL3376754

C1CCC2(CC1)CCN(CC1CCCC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.61
ADRA2C P18825 1/20 0.61
ACHE P22303 1/20 0.53
OPRL1 P41146 5/20 0.49
OPRM1 P35372 4/20 0.49
SIGMAR1 Q99720 7/20 0.46
OPRK1 P41145 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
OPRD1 P41143 1/20 0.43
SCN1A P35498 1/20 0.42
SCN4A P35499 1/20 0.42
SCN7A Q01118 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SCN11A Q9UI33 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
SCHEMBL3377699 0.94 CHRM5 (0.52) CHRM5ADRA2CACHEOPRL1OPRM1
SCHEMBL18898618 0.82 NCF1 (0.41) CHRM5ADRA2CACHEOPRL1OPRM1
SCHEMBL11596303 0.79 CHRM5 (0.84) CHRM5ADRA2CACHEOPRL1OPRM1
SCHEMBL5376134 0.79 CHRM5 (0.84) CHRM5ADRA2CACHEOPRL1OPRM1
SCHEMBL22011077 0.79 CHRM5 (0.61) CHRM5ADRA2CACHEOPRL1OPRM1
SCHEMBL1515104 0.77 CHRM5 (1.00) CHRM5ADRA2CACHEOPRL1OPRM1
SCHEMBL19575409 0.77 CHRM5 (1.00) CHRM5ADRA2CACHEOPRL1OPRM1
SCHEMBL20643257 0.77 CHRM5 (1.00) CHRM5ADRA2CACHEOPRL1OPRM1
SCHEMBL3439903 0.77 CHRM5 (0.90) CHRM5ADRA2CACHEOPRL1OPRM1
SCHEMBL3439882 0.77 CHRM5 (1.00) CHRM5ADRA2CACHEOPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557836-B2 Spiro-piperidine inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-10-15 US disclosed
US-20100069420-A1 SPIRO-PIPERIDINE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 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-20100069420-A1 SPIRO-PIPERIDINE INHIBITORS HSP90B1, PSTPIP2, HAVCR2 CHRM5 1926/4885ADRA2C 290/4885ACHE 4655/4885

“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.