SCHEMBL15044973

SCHEMBL15044973

CC(C)c1ncc(-c2ccnn2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
COMT P21964 1/20 0.41
ALK Q9UM73 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL15047763 0.79 CYP1A2 (0.47) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9
SCHEMBL26953360 0.78 CYP1A2 (0.46) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9
SCHEMBL30060833 0.78 CYP1A2 (0.46) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9
SCHEMBL23467159 0.74 CYP1A2 (0.50) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9
SCHEMBL12269968 0.73 CYP1A2 (0.49) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9
SCHEMBL3330957 0.72 PORCN (0.42) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9
SCHEMBL17796572 0.71 CYP1A2 (0.47) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9
SCHEMBL17654918 0.71 CYP1A2 (0.47) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9
SCHEMBL13086631 0.71 CYP11B2 (0.40) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9
SCHEMBL15950989 0.71 COMT (0.60) CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 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 (1 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 CYP2D6 2299/4885CYP1A2 1115/4885CYP3A4 2459/4885

“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.