SCHEMBL4937667

SCHEMBL4937667

COc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C[C@H]2C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.65
ESR2 Q92731 3/20 0.65
ABHD6 Q9BV23 2/20 0.50
DRD1 P21728 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTR2C P28335 1/20 0.45
HSD11B1 P28845 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CPS1 P31327 4/20 0.43
NOTUM Q6P988 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL1095538 1.00 ESR1 (0.65) ESR1ESR2ABHD6DRD1KDM4E
SCHEMBL1095168 0.91 ESR1 (0.52) ESR1ESR2ABHD6HSD11B1NOTUM
SCHEMBL1094619 0.86 ESR1 (0.62) ESR1ESR2ABHD6DRD1KDM4E
SCHEMBL1095121 0.85 ESR1 (0.61) ESR1ESR2ABHD6DRD1KDM4E
SCHEMBL1095554 0.85 ESR1 (0.61) ESR1ESR2ABHD6DRD1KDM4E
SCHEMBL1095164 0.85 ESR1 (0.61) ESR1ESR2ABHD6DRD1KDM4E
SCHEMBL6656989 0.84 ESR1 (0.60) ESR1ESR2ABHD6DRD1KDM4E
SCHEMBL1095297 0.84 ESR2 (0.60) ESR1ESR2ABHD6DRD1
SCHEMBL4932882 0.84 ESR2 (0.60) ESR1ESR2ABHD6DRD1
SCHEMBL15290710 0.84 ESR1 (0.44) ESR1ESR2ABHD6DRD1NOTUM

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 4 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-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 WO 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 ESR1 1181/4885ESR2 456/4885ABHD6 1206/4885
US-20070275949-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2C Receptor Associated Diseases HTR2C, HTR2A, HTR2B ESR1 1192/4885ESR2 448/4885ABHD6 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.