SCHEMBL2218912

SCHEMBL2218912

COc1ncccc1N(C)C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 20/20 0.80
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL3150474 0.90 GPBAR1 (0.63) GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2217335 0.89 GPBAR1 (0.76) GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL16649355 0.86 GPBAR1 (0.60) GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL3142921 0.85 GPBAR1 (0.59) GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL3142750 0.82 GPBAR1 (0.74) GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL3142383 0.82 GPBAR1 (0.65) GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL3145125 0.81 GPBAR1 (0.64) GPBAR1CYP3A4CYP2C9
SCHEMBL3146348 0.81 GPBAR1 (0.70) GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL3141314 0.81 GPBAR1 (0.60) GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL3141311 0.81 GPBAR1 (0.66) GPBAR1CYP3A4CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089099-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 WO claimed
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-07-21 US claimed
EP-2526096-B1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-04-22 EP disclosed
US-8729091-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729091-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-8420647-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420647-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
WO-2011089099-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 WO disclosed
WO-2011089099-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 WO disclosed
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-07-21 US disclosed
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-07-21 US disclosed
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-07-21 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 (2 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-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 GPBAR1 2/4885CYP3A4 1133/4885CYP2C9 1407/4885
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 GPBAR1 2/4885CYP3A4 1133/4885CYP2C9 1407/4885

“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.