SCHEMBL4938554

SCHEMBL4938554

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.41
ESR2 Q92731 10/20 0.41
ABHD6 Q9BV23 1/20 0.34
DRD1 P21728 2/20 0.34
PKM P14618 1/20 0.34
DRD2 P14416 2/20 0.33
DRD5 P21918 1/20 0.33
MET P08581 1/20 0.33
ALK Q9UM73 1/20 0.33
HTR1A P08908 1/20 0.33
DRD3 P35462 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL23745324 0.90 ESR1 (0.45) ESR1ESR2ABHD6DRD1DRD2
SCHEMBL31121185 0.90 ESR1 (0.45) ESR1ESR2ABHD6DRD1DRD2
SCHEMBL1095022 0.87 ESR1 (0.45) ESR1ESR2DRD1DRD2DRD5
SCHEMBL1094863 0.87 HTR2A (0.47) ESR1ESR2ABHD6DRD1CYP11B2
SCHEMBL30012797 0.87 HTR2A (0.47) ESR1ESR2ABHD6DRD1CYP11B2
SCHEMBL1095978 0.84 ESR1 (0.42) ESR1ESR2ABHD6DRD1DRD2
SCHEMBL1094406 0.84 HTR2A (0.48) ESR1ESR2DRD1DRD5
SCHEMBL1094266 0.81 HTR2A (0.48) ESR1ESR2
SCHEMBL31121204 0.81 ESR1 (0.49) ESR1ESR2DRD2HTR1ADRD3
SCHEMBL3282297 0.81 ESR1 (0.49) ESR1ESR2DRD2HTR1ADRD3

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 456/4885ABHD6 1206/4885

“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.