SCHEMBL42119

SCHEMBL42119

c1ccc(C(c2ccccc2)N2CC[N]CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.59
KMT2A Q03164 4/20 0.59
CHRM2 P08172 2/20 0.59
ADRA2A P08913 2/20 0.59
CHRM1 P11229 2/20 0.59
DRD1 P21728 2/20 0.59
DRD3 P35462 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KCNH2 Q12809 2/20 0.59
MEN1 O00255 2/20 0.59
CYP2D6 P10635 2/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM3 P20309 1/20 0.59
ADRA1D P25100 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HRH1 P35367 1/20 0.59
HTR2B P41595 1/20 0.59

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
SCHEMBL9250178 0.92 KCNH2 (0.52) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL9252844 0.89 OPRM1 (0.57) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL9256149 0.89 OPRM1 (0.55) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL1381608 0.89 DRD3 (0.66) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL9251268 0.85 OPRM1 (0.59) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL11354393 0.85 OPRM1 (0.60) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL3919536 0.84 OPRM1 (0.78) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL8175607 0.84 OPRM1 (0.78) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL8186671 0.84 OPRM1 (0.78) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL7977689 0.84 OPRM1 (0.78) OPRM1KMT2ACHRM2ADRA2ACHRM1

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 231 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003176-B Amide-containing benzimidazole compound and application thereof 沈阳药科大学 2021-12-21 CN claimed
CN-110156752-B 2- [ (pyridine-2-ylmethyl) sulfenyl ] -1H-benzimidazole compound and application thereof 沈阳药科大学 2021-03-19 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-8039474-B2 2,3,4,9-tetrahydro-1H-carbazole derivatives as CRTH2 receptor antagonists ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US claimed
EP-1833791-B1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-03 EP claimed
US-7674789-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US claimed
US-20090318424-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-24 US claimed
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US claimed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 US claimed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 EP claimed
US-4886813-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-12-12 US claimed
EP-0266549-A1 Cinnamyl amines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-05-11 EP claimed
EP-0062827-B1 NOVEL BENZAMIDE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD (JP) 1986-07-23 EP claimed
EP-0006227-B1 ANTITHROMBOTIC PHARMACEUTICAL PREPARATION CONTAINING 2,2'-DITHIOBIS BENZAMIDE DERIVATIVES AND NEW 2,2'-DITHIOBIS BENZAMIDE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD (JP) 1984-12-27 EP claimed
EP-0025111-B1 3-AMINOPROPOXYARYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1984-07-25 EP claimed
US-4460586-A CARDIOTONIC AGENTS, ANTIARRHYTHMIC AGENTS, ADRENERGIC BLOCKING AGENTS SANDOZ LTD. (CH) 1984-07-17 US claimed
EP-0097340-A2 Piperazine derivatives, a process for preparing them and pharmaceutical compositions FERRER INTERNACIONAL, S.A. (ES) 1984-01-04 EP claimed
US-4361562-A CARDIOTONIC, ANTIARRHYTHMIC AND ADRENOCEPTOR BLOCKING AGENTS SANDOZ LTD. (CH) 1982-11-30 US claimed
EP-0062827-A2 Novel benzamide derivatives KYOWA HAKKO KOGYO CO., LTD (JP) 1982-10-20 EP claimed
EP-0025111-A1 3-Aminopropoxyaryl derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1981-03-18 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090239846-A1 Novel Compounds MAPKAPK2, MAPKAPK3, CDC42BPB OPRM1 3561/4885KMT2A 2825/4885CHRM2 4617/4885
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, CRHR2, GRK2 OPRM1 835/4885KMT2A 3465/4885CHRM2 604/4885
US-20090318424-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB OPRM1 3561/4885KMT2A 2825/4885CHRM2 4617/4885

“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.