SCHEMBL4940233

SCHEMBL4940233

C[C@@H]1CN(C(=O)C(F)(F)F)CCc2cc(Cc3ccccc3)c(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
DRD1 P21728 8/20 0.38
MTNR1B P49286 1/20 0.38
DRD2 P14416 6/20 0.37
DRD5 P21918 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MET P08581 1/20 0.36
ALK Q9UM73 1/20 0.36
ABHD6 Q9BV23 1/20 0.36

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
SCHEMBL4936415 0.87 ESR1 (0.43) ESR1ESR2DRD1MTNR1BDRD2
SCHEMBL4938831 0.84 MTNR1B (0.48) ESR1ESR2MTNR1BCYP2D6TSHR
Hydrochloric Acid SCHEMBL4937223 0.83 MTNR1B (0.48) ESR1ESR2MTNR1BCYP2D6TSHR
Hydrochloric Acid SCHEMBL4937211 0.83 MTNR1B (0.48) ESR1ESR2MTNR1BCYP2D6TSHR
Hydrochloric Acid SCHEMBL4937219 0.83 MTNR1B (0.48) ESR1ESR2MTNR1BCYP2D6TSHR
SCHEMBL23745324 0.83 ESR1 (0.45) ESR1ESR2DRD1DRD2DRD5
SCHEMBL31121185 0.83 ESR1 (0.45) ESR1ESR2DRD1DRD2DRD5
SCHEMBL1095022 0.80 ESR1 (0.45) ESR1ESR2DRD1DRD2DRD5
SCHEMBL1094863 0.80 HTR2A (0.47) ESR1ESR2DRD1TSHRABHD6
SCHEMBL30012797 0.80 HTR2A (0.47) ESR1ESR2DRD1TSHRABHD6

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 ESR1 1181/4885ESR2 456/4885DRD1 236/4885

“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.