SCHEMBL5455644

SCHEMBL5455644

CC1(C#N)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CYP2D6 P10635 6/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2C9 P11712 4/20 0.47
USP2 O75604 3/20 0.47
CYP1A2 P05177 1/20 0.47
OPRM1 P35372 6/20 0.46
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM3 P20309 1/20 0.46
ADRA1D P25100 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
SCHEMBL5457749 0.81 NPSR1 (0.45) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL4840431 0.79 NPSR1 (0.46) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL10047375 0.79 NPSR1 (0.61) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL13449264 0.79 CYP3A4 (0.47) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL9230667 0.79 CYP2D6 (0.47) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL5527398 0.79 OPRL1 (0.49) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL4841029 0.78 NPSR1 (0.45) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL4837814 0.77 NPSR1 (0.44) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL15797515 0.76 NPSR1 (0.57) NPSR1GPR55CYP2D6CYP3A4CYP2C9
SCHEMBL9359082 0.76 NPSR1 (0.57) NPSR1GPR55CYP2D6CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
US-5576320-A 1-heteruarylazetidines and -pyrrolidines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-11-19 US disclosed
US-5565474-A 1-heteroarylazetidines and -pyrrolidines process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-10-15 US disclosed
US-5410057-A 1-heteroarylazetidines and -pyrrolidines SANOFI (FR) 1995-04-25 US disclosed
EP-0406112-B1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity ESTEVE LABOR DR (ES) 1994-12-28 EP disclosed
EP-0591030-A2 1-Heteroaryl-azetidines and -pyrrolidines as 5-HT3 agonists SANOFI (FR) 1994-04-06 EP disclosed
US-5073646-A Chemical intermediates, microbiocides LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-12-17 US disclosed
EP-0406112-A1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-01-02 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL NPSR1 3802/4885GPR55 4545/4885CYP2D6 134/4885

“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.