SCHEMBL6312115

SCHEMBL6312115

O=C1CC2CCC(C1)N2CCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.73
OPRM1 P35372 13/20 0.56
OPRD1 P41143 13/20 0.56
CHRNA7 P36544 1/20 0.52
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL8541761 1.00 HRH3 (0.73) HRH3OPRM1OPRD1CHRNA7SIGMAR1
SCHEMBL29691892 0.82 CHRM2 (0.53) HRH3OPRM1OPRD1CHRNA7SIGMAR1
SCHEMBL16766368 0.82 CHRM2 (0.53) HRH3OPRM1OPRD1CHRNA7SIGMAR1
SCHEMBL19364501 0.82 CHRM2 (0.53) HRH3OPRM1OPRD1CHRNA7SIGMAR1
SCHEMBL719296 0.82 CHRM2 (0.53) HRH3OPRM1OPRD1CHRNA7SIGMAR1
SCHEMBL707808 0.82 CHRM2 (0.53) HRH3OPRM1OPRD1CHRNA7SIGMAR1
Hydrochloric Acid SCHEMBL1633577 0.81 CHRM2 (0.56) HRH3OPRM1OPRD1SIGMAR1
SCHEMBL27751179 0.80 HRH3 (0.89) HRH3OPRM1OPRD1CHRNA7SIGMAR1
SCHEMBL19013666 0.77 HRH3 (0.76) HRH3OPRM1OPRD1CHRNA7
SCHEMBL12902953 0.76 KMT2A (0.51) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 US disclosed
US-20030181447-A1 3-(Diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives BOYD ROBERT E (US) 2003-09-25 US disclosed
US-6552036-B2 Delta-opioid or mu-opioid receptor modulators; useful analgesics, immunosuppressants, antiinflammatory agents, agents for the treatment of respiratory diseases. ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-22 US disclosed
EP-1263758-A2 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2002-12-11 EP disclosed
US-20020115662-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives BOYD ROBERT E (US) 2002-08-22 US disclosed
WO-2001066543-A2 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-09-13 WO disclosed
WO-2000004017-A1 AZABICYCLE-SUBSTITUTED PHENYLINDOLE DERIVATIVES AS LIGANDS FOR 5-HT2A RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-01-27 WO 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 (3 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-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRD1, OPRM1, OPRK1 HRH3 1065/4885OPRM1 2/4885OPRD1 1/4885
US-20020115662-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRM1, OPRK1, OPRD1 HRH3 802/4885OPRM1 1/4885OPRD1 3/4885
US-20030181447-A1 3-(Diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRM1, OPRK1, OPRD1 HRH3 802/4885OPRM1 1/4885OPRD1 3/4885

“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.