SCHEMBL508374

SCHEMBL508374

O=C(N1CCc2ccc(Cl)c(C#Cc3cccc(F)c3)c2CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
GRM5 P41594 5/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3963048 0.88 ESR1 (0.43) ESR1ESR2GRM5ALDH1A1HPGD
SCHEMBL3964764 0.82 ESR1 (0.39) ESR1ESR2GRM5HPGD
SCHEMBL507366 0.81 ESR1 (0.41) ESR1ESR2GRM5ALDH1A1HPGD
SCHEMBL13768678 0.81 ESR1 (0.48) ESR1ESR2GRM5ALDH1A1HPGD
SCHEMBL2255041 0.77 ESR1 (0.48) ESR1ESR2
SCHEMBL507681 0.77 GRM5 (0.43) ESR1ESR2GRM5ALDH1A1SMN1; SMN2
SCHEMBL507887 0.77 ESR1 (0.43) ESR1ESR2CYP3A4
SCHEMBL3964983 0.76 ESR1 (0.41) ESR1ESR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3971003 0.76 ESR1 (0.41) ESR1ESR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3971006 0.76 ESR1 (0.41) ESR1ESR2ALDH1A1HPGDSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 ESR1 331/4885ESR2 210/4885GRM5 43/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR1 311/4885ESR2 319/4885GRM5 69/4885

“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.