SCHEMBL4936743

SCHEMBL4936743

C[C@@H]1CN(C(=O)OC(C)(C)C)CCc2ccc(-c3ccco3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.50
ABCB1 P08183 2/20 0.47
ESR2 Q92731 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
TGFBR1 P36897 1/20 0.43
NR1H2 P55055 1/20 0.43
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRA4 P48169 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 1/20 0.39
USP30 Q70CQ3 3/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL5443655 0.84 USP30 (0.50) GPR119ESR2NR1H2USP30
SCHEMBL5446908 0.80 ESR2 (0.64) GPR119ESR2NR1H2HTR2A
SCHEMBL5446905 0.80 ESR2 (0.64) GPR119ESR2NR1H2HTR2A
SCHEMBL5446560 0.80 ESR2 (0.64) GPR119ESR2NR1H2HTR2A
SCHEMBL5457668 0.79 USP30 (0.53) GPR119ESR2NR1H2USP30
SCHEMBL5457670 0.79 USP30 (0.53) GPR119ESR2NR1H2USP30
SCHEMBL5446747 0.79 USP30 (0.53) GPR119ESR2NR1H2USP30
SCHEMBL4929711 0.79 ESR2 (0.53) ESR2NR1H2HTR1ADRD2HTR2A
SCHEMBL4933094 0.79 ESR2 (0.53) ESR2NR1H2HTR1ADRD2HTR2A
SCHEMBL30468454 0.78 ABHD6 (0.50) GPR119ESR2NR1H2USP30

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 1 patent. 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

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 GPR119 22/4885ABCB1 423/4885ESR2 456/4885

“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.