SCHEMBL6959577

SCHEMBL6959577

COc1ccc2c(c1OC1CN(C(c3ccccc3)c3ccccc3)C1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 5/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
OPRL1 P41146 4/20 0.39
ADRA1D P25100 3/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
SCN9A Q15858 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 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
SCHEMBL6969377 0.87 OPRM1 (0.37) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6954699 0.83 CHRM2 (0.35) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6965854 0.79 TIPARP (0.38) MEN1KMT2AOPRM1OPRL1ADRA1D
Hydrochloric Acid SCHEMBL6965138 0.78 TIPARP (0.37) MEN1KMT2AOPRM1OPRL1ADRA1D
SCHEMBL6965171 0.77 MEN1 (0.41) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6958942 0.77 TIPARP (0.38) OPRM1OPRL1ADRA1DSCN9ACHRM2
Hydrochloric Acid SCHEMBL6968470 0.76 MEN1 (0.40) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6962904 0.75 OPRM1 (0.42) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6959357 0.73 BCHE (0.46) MEN1KMT2A
SCHEMBL6966354 0.73 BCHE (0.46) MEN1KMT2A

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 MEN1 3923/4885KMT2A 2458/4885OPRM1 28/4885

“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.