SCHEMBL248785

SCHEMBL248785

C=CC[C](C=C)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CHKA P35790 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
PHGDH O43175 1/20 0.30

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
SCHEMBL2186109 0.75 CA2 (0.43) CA2CA12CA1CA9CHKA
SCHEMBL15334463 0.72
SCHEMBL9737097 0.71 CA2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL28191935 0.69 CA2 (0.46) CA2CA12CA1CA9CHKA
SCHEMBL21912690 0.69 CA2 (0.39) CA2CA12CA1CA9CHKA
Piperazine SCHEMBL28191934 0.68 CA2 (0.44) CA2CA12CA1CA9CHKA
SCHEMBL19372355 0.67
SCHEMBL6899581 0.67 CA2 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL277853 0.67 CA2 (0.48) CA2CA12CA1CA9CHKA
SCHEMBL2942429 0.66 CA2 (0.46) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350022-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
EP-2321282-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-03-27 EP disclosed
US-8143422-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
US-8088930-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US disclosed
EP-2350022-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
EP-2321282-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010043513-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-22 WO disclosed
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-04-15 US disclosed
WO-2010028981-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-18 WO disclosed
US-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 US disclosed
EP-1539746-B1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-11-15 EP disclosed
US-7098228-B2 e.g., 3-{1-[2-(3,5-Dimethoxy-phenyl)-5-methyl-oxazol-4-ylmethyl]-1H-indol-4-yl}-2-ethoxy-propionic acid ethyl ester; treating non-insulin dependent diabetes mellitus; PPAR receptor activation HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed
EP-1567523-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
EP-1539746-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-6890947-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-10 US disclosed
WO-2004048371-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-20040106657-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-06-03 US disclosed
WO-2004024726-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 WO disclosed
US-20040053979-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-03-18 US disclosed
EP-0063747-B1 2-SUBSTITUTED OR UNSUBSTITUTED AMINOCARBONYLOXYALKYL-1,4-DIHYDROPYRIDINES BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-12-09 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 (4 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-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES CYP3A7, ECI1, CYP2B6 CA2 1310/4885CA12 4180/4885CA1 4371/4885
US-20040106657-A1 Indolyl derivatives GPR119, IRS1, INSR CA2 2808/4885CA12 4280/4885CA1 4283/4885
US-20040053979-A1 Indolyl derivatives UGT1A8, CYP2C8, UGT1A1 CA2 3008/4885CA12 3289/4885CA1 3110/4885
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES CYP2B6, CYP3A4, CYP2C19 CA2 1174/4885CA12 3992/4885CA1 4354/4885

“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.