SCHEMBL6959511

SCHEMBL6959511

c1ccc(CN2CCC(Oc3cccc4ccccc34)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.66
SMN1; SMN2 Q16637 1/20 0.52
DRD4 P21917 5/20 0.49
DRD2 P14416 2/20 0.48
ENPP2 Q13822 2/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL6708061 0.92 SMN1; SMN2 (0.61) MCHR1SMN1; SMN2DRD4DRD2ENPP2
Hydrochloric Acid SCHEMBL11073301 0.91 SMN1; SMN2 (0.63) MCHR1SMN1; SMN2DRD4DRD2ENPP2
SCHEMBL10058617 0.84 PDE3B (0.48) MCHR1DRD4DRD2MEN1KMT2A
SCHEMBL10606808 0.82 MCHR1 (0.60) MCHR1SMN1; SMN2DRD4DRD2MEN1
SCHEMBL10608988 0.81 MEN1 (0.59) MCHR1SMN1; SMN2DRD4MEN1POLB
SCHEMBL3886322 0.81 MCHR1 (0.59) MCHR1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL10608615 0.81 MCHR1 (0.59) MCHR1SMN1; SMN2DRD4MEN1KMT2A
Hydrochloric Acid SCHEMBL10608932 0.81 MCHR1 (0.58) MCHR1SMN1; SMN2DRD4DRD2MEN1
SCHEMBL5884214 0.80 MCHR1 (1.00) MCHR1
SCHEMBL7260093 0.80 MCHR1 (1.00) MCHR1

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 9 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
EP-0147909-B1 ARYLOXY-N-(AMINOALKYL)-1-PYRROLIDINE AND PIPERIDINE CARBOXAMIDES AND CARBOTHIOAMIDES HAVING ANTIARRHYTHMIC ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1989-12-06 EP disclosed
US-4547514-A Aryloxy-N-(aminoalkyl)-1-pyrrolidine and piperidine carboxamides and carbothioamides having antiarrhythmic activity A. H. ROBINS COMPANY, INCORPORATED (US) 1985-10-15 US disclosed
EP-0147909-A1 Aryloxy-N-(aminoalkyl)-1-pyrrolidine and piperidine carboxamides and carbothioamides having antiarrhythmic activity A.H. ROBINS COMPANY, INCORPORATED (US) 1985-07-10 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 MCHR1 305/4885SMN1; SMN2 1595/4885DRD4 22/4885

“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.