SCHEMBL3054829

SCHEMBL3054829

CCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
PDE2A O00408 5/20 0.37
PDE10A Q9Y233 3/20 0.37
CNR1 P21554 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RPS6KA5 O75582 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TBXA2R P21731 1/20 0.34
DDR1 Q08345 1/20 0.34

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
SCHEMBL3060330 0.91 RPS6KA5 (0.41) PDE2AMEN1KMT2ARPS6KA5KDM4E
SCHEMBL14368290 0.88 NLRP3 (0.40) PDE2AGRIN2BMEN1KMT2ARPS6KA5
SCHEMBL3062446 0.88 CYP11B1 (0.36) GRIN2BMEN1KMT2ARPS6KA5KDM4E
SCHEMBL3065544 0.87 TBXA2R (0.39) PDE2APDE10AKMT2ARPS6KA5TBXA2R
SCHEMBL3060709 0.87 KDM4E (0.45) CNR2MEN1KMT2ARPS6KA5KDM4E
SCHEMBL3070423 0.86 PDE2A (0.36) PDE2ATDP1TBXA2R
SCHEMBL3060514 0.85 CNR2 (0.39) CNR2TRPM8CNR1GRIN1GRIN2B
SCHEMBL3059727 0.84 RPS6KA5 (0.34) PDE2AMEN1KMT2ARPS6KA5KDM4E
SCHEMBL3060160 0.84 S1PR1 (0.36) MEN1KMT2ARPS6KA5KDM4E
SCHEMBL3060524 0.84 KCNH2 (0.32) RPS6KA5KDM4ETBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US 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 (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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CNR2 30/4885TRPM8 1310/4885PDE2A 2564/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CNR2 30/4885TRPM8 1310/4885PDE2A 2564/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 CNR2 30/4885TRPM8 1310/4885PDE2A 2564/4885

“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.