SCHEMBL4932882

SCHEMBL4932882

C[C@@H]1CN(C(=O)C(F)(F)F)CCc2cc(O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.60
ESR1 P03372 13/20 0.60
ABHD6 Q9BV23 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
DRD1 P21728 4/20 0.39
DRD2 P14416 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL1095297 1.00 ESR2 (0.60) ESR2ESR1ABHD6GRIN1GRIN2B
SCHEMBL15290710 0.87 ESR1 (0.44) ESR2ESR1ABHD6DRD1
SCHEMBL1095538 0.84 ESR1 (0.65) ESR2ESR1ABHD6DRD1
SCHEMBL1095168 0.84 ESR1 (0.52) ESR2ESR1ABHD6
SCHEMBL4937667 0.84 ESR1 (0.65) ESR2ESR1ABHD6DRD1
SCHEMBL16582898 0.84 ESR2 (0.43) ESR2ESR1GRIN1GRIN2BDRD1
SCHEMBL23745324 0.83 ESR1 (0.45) ESR2ESR1ABHD6DRD1DRD2
SCHEMBL31121185 0.83 ESR1 (0.45) ESR2ESR1ABHD6DRD1DRD2
SCHEMBL14282038 0.83 ABHD6 (0.55) ESR2ESR1ABHD6DRD1
SCHEMBL1095022 0.82 ESR1 (0.45) ESR2ESR1DRD1DRD2DRD5

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 3 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
US-20070275949-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2C Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
WO-2005042490-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 (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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B ESR2 456/4885ESR1 1181/4885ABHD6 1206/4885
US-20070275949-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2C Receptor Associated Diseases HTR2C, HTR2A, HTR2B ESR2 448/4885ESR1 1192/4885ABHD6 1209/4885

“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.