SCHEMBL4937952

SCHEMBL4937952

C[C@H]1C(=O)NCCc2cc(OCc3cccc(F)c3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.54
MAOA P21397 3/20 0.54
GRM5 P41594 2/20 0.49
ACHE P22303 1/20 0.47
CYP1A2 P05177 1/20 0.45
NR4A2 P43354 1/20 0.44
HPD P32754 1/20 0.43

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
SCHEMBL4937955 1.00 MAOB (0.54) MAOBMAOAGRM5ACHECYP1A2
SCHEMBL4937950 1.00 MAOB (0.54) MAOBMAOAGRM5ACHECYP1A2
SCHEMBL4938674 0.89 MAOA (0.50) MAOBMAOA
SCHEMBL30468474 0.89 MAOA (0.50) MAOBMAOA
SCHEMBL4938670 0.89 MAOA (0.50) MAOBMAOA
SCHEMBL4938678 0.89 MAOA (0.50) MAOBMAOA
SCHEMBL20905162 0.81 MAOB (0.58) MAOBMAOAGRM5NR4A2
SCHEMBL4933084 0.80 HTR2C (0.58) MAOBMAOAGRM5
SCHEMBL4933090 0.80 HTR2C (0.58) MAOBMAOAGRM5
SCHEMBL4933088 0.80 HTR2C (0.58) MAOBMAOAGRM5

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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 WO 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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B MAOB 84/4885MAOA 156/4885GRM5 58/4885

“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.