SCHEMBL6969377

SCHEMBL6969377

Cc1ccc2c(c1OC1CN(C(c3ccccc3)c3ccccc3)C1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.37
CHRM2 P08172 3/20 0.37
ADRA2A P08913 3/20 0.37
CHRM1 P11229 3/20 0.37
DRD1 P21728 3/20 0.37
DRD3 P35462 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 3/20 0.37
CYP2D6 P10635 3/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
OPRL1 P41146 8/20 0.35
OPRK1 P41145 6/20 0.35

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
SCHEMBL6959577 0.87 MEN1 (0.39) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL6954699 0.86 CHRM2 (0.35) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL9682075 0.81 OPRM1 (0.41) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL6965854 0.80 TIPARP (0.38) OPRM1CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL6965138 0.79 TIPARP (0.37) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL6958942 0.77 TIPARP (0.38) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL6966240 0.77 HSP90AA1 (0.36) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL9450752 0.75 SLC6A2 (0.40) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL6968194 0.71 SCN9A (0.41) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL6956387 0.71 SCN9A (0.37) OPRM1CHRM2ADRA2ACHRM1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863136-B1 Derivatives of azetidine and pyrrolidine AKZO NOBEL NV (NL) 2003-09-24 EP disclosed
US-6403573-B1 BICYCLIC-CARBO OR HETERO OXY OR BICYCLIC CARBO OR HETERO SULFIDE CONTAINING PYRROLIDINE/AZETIDINE DERIVATIVES USED AS ANTIDEPRESSANT OR PREVENTING SEROTONIN-RELATED DISEASES AKZO NOBEL N.V. (NL) 2002-06-11 US disclosed
US-20020040016-A1 Derivatives of azetidine and pyrrolidine MERCK SHARP & DOHME B.V. (NL) 2002-04-04 US disclosed
US-6281243-B1 ANTIDEPRESSANTS, ANTISEROTONINE AGENT AKZO NOBEL N.V. (NL) 2001-08-28 US disclosed
WO-1999043647-A1 DERIVATIVES OF AZETIDINE AND PYRROLIDINE AKZO NOBEL N.V. (NL) 1999-09-02 WO disclosed
EP-0863136-A1 Derivatives of azetidine and pyrrolidine Akzo Nobel N.V. (NL) 1998-09-09 EP 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-20020040016-A1 Derivatives of azetidine and pyrrolidine TPH1, TPH2, HTR1D OPRM1 28/4885CHRM2 331/4885ADRA2A 159/4885

“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.