SCHEMBL2537074

SCHEMBL2537074

CCCCCC(CCCCC)N1CCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
FDPS P14324 4/20 0.37
LMNA P02545 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
DNM1 Q05193 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL19441066 0.98 FDPS (0.39) OPRM1FDPSLMNADNM1MAPT
SCHEMBL24368316 0.98 FDPS (0.39) OPRM1FDPSLMNADNM1MAPT
SCHEMBL24486038 0.98 FDPS (0.39) OPRM1FDPSLMNADNM1MAPT
SCHEMBL2872599 0.95 L3MBTL1 (0.38) OPRM1FDPSLMNAHRH3L3MBTL1
SCHEMBL24688643 0.93 HRH3 (0.40) OPRM1FDPSLMNAHRH3L3MBTL1
SCHEMBL14127423 0.93 FDPS (0.39) OPRM1FDPSLMNAHRH3L3MBTL1
SCHEMBL3160023 0.93 HRH3 (0.40) OPRM1FDPSLMNAHRH3L3MBTL1
SCHEMBL23251113 0.93 FDPS (0.39) OPRM1FDPSLMNAHRH3L3MBTL1
SCHEMBL2228223 0.93 FDPS (0.39) OPRM1FDPSLMNAHRH3L3MBTL1
SCHEMBL12469943 0.93 FDPS (0.39) OPRM1FDPSLMNAHRH3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066636-B1 5-PHENYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-26 EP disclosed
EP-1896445-B1 ( 6-FLU0R0-BENZ0[l, 3] DIOXOLYL) -MORPHOLIN-4-YL-METHANONES AND THEIR USE AS CBl LIGANDS HOFFMANN LA ROCHE (CH) 2010-11-10 EP disclosed
EP-1812418-B1 DIBENZOSUBERONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-27 EP disclosed
US-7786128-B2 Indole or benzimidazole derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2010-08-31 US disclosed
EP-1716132-B1 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-25 EP disclosed
US-7781593-B2 CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
US-20100056513-A1 STEREOSPECIFICALLY SUBSTITUTED BENZO[1,3]DIOXOLYL DERIVATIVES FREI BEAT 2010-03-04 US disclosed
US-7629346-B2 Pyrazinecarboxamide derivatives as CB1 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-12-08 US disclosed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 US disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO 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 (5 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 OPRM1 17/4885FDPS 3962/4885LMNA 3407/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 OPRM1 85/4885FDPS 1944/4885LMNA 4186/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 OPRM1 33/4885FDPS 3230/4885LMNA 4004/4885
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R OPRM1 145/4885FDPS 1970/4885LMNA 4423/4885
US-20100056513-A1 STEREOSPECIFICALLY SUBSTITUTED BENZO[1,3]DIOXOLYL DERIVATIVES CNR1, CNR2, NPY1R OPRM1 14/4885FDPS 1972/4885LMNA 3893/4885

“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.