SCHEMBL6966265

SCHEMBL6966265

COCc1ccc2ccccc2c1OC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HSP90AA1 P07900 1/20 0.33
SCN9A Q15858 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 3/20 0.32
USP2 O75604 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC6A9 P48067 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
Hydrochloric Acid SCHEMBL6963998 0.99 HSP90AA1 (0.35) PRMT5WDR77HSP90AA1SCN9AMCHR1
SCHEMBL6965171 0.82 MEN1 (0.41) SCN9AMEN1KMT2AOPRM1OPRD1
SCHEMBL6966240 0.82 HSP90AA1 (0.36) HSP90AA1SCN9AMCHR1CYP2D6OPRM1
Hydrochloric Acid SCHEMBL6968470 0.81 MEN1 (0.40) HSP90AA1SCN9AMEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL6958559 0.75 SLC6A2 (0.35) PRMT5WDR77SLC6A3KCNH2
SCHEMBL6963813 0.73 SLC6A2 (0.43) HSP90AA1SCN9AMCHR1CYP2D6MEN1
Hydrochloric Acid SCHEMBL6954665 0.72 SLC6A2 (0.42) HSP90AA1SCN9AMCHR1CYP2D6MEN1
SCHEMBL9682075 0.70 OPRM1 (0.41) SCN9ACYP2D6MEN1KMT2ASLC6A9
SCHEMBL6962904 0.70 OPRM1 (0.42) SCN9ACYP2D6MEN1KMT2AOPRM1
SCHEMBL6959576 0.69 ACHE (0.42) SCN9ACYP2D6MEN1KMT2AOPRM1

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 PRMT5 2219/4885WDR77 2331/4885HSP90AA1 2380/4885

“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.