SCHEMBL20043816

SCHEMBL20043816

Cc1ccc(OC2CCN(C)CC2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
PARP1 P09874 1/20 0.44
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
BRD4 O60885 1/20 0.40
CASP1 P29466 1/20 0.40
CHEK2 O96017 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SOS1 Q07889 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL13091424 0.88 HRH3 (0.51) HRH3MAOAMAOBSMN1; SMN2PARP1
SCHEMBL1645653 0.87 HRH3 (0.54) HRH3MAOAMAOBSMN1; SMN2PARP1
SCHEMBL24684559 0.87 CASP1 (0.48) MAOAMAOBSMN1; SMN2CASP1
SCHEMBL17978518 0.83 CASP1 (0.45) MAOAMAOBCASP1
SCHEMBL18702858 0.82 CASP1 (0.44) MAOAMAOBCASP1
SCHEMBL29502877 0.82 CASP1 (0.44) MAOAMAOBCASP1
SCHEMBL6341704 0.81 EPHX2 (0.42) HRH3BRD4
SCHEMBL12311918 0.81 HRH3 (0.51) HRH3MAOAMAOBSMN1; SMN2PARP1
SCHEMBL1911849 0.80 TGFBR1 (0.52) HRH3MAOAMAOBSMN1; SMN2PARP1
SCHEMBL16513840 0.80 HRH3 (0.50) HRH3MAOAMAOBSMN1; SMN2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2018-04-12 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 (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-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES ALK, ABL2, ACVR1 HRH3 478/4885MAOA 3378/4885MAOB 3052/4885

“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.