SCHEMBL507965

SCHEMBL507965

CC(NC(=O)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
PTGES O14684 2/20 0.35
PTGER4 P35408 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE5A O76074 1/20 0.33
DHODH Q02127 2/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL507964 1.00 MAPK1 (0.37) MAPK1ESR1ESR2ITGB3ITGA2B
SCHEMBL507369 0.87 ESR1 (0.39) MAPK1ESR1ESR2PDE5A
SCHEMBL507895 0.85 ESR1 (0.37) MAPK1ESR1ESR2PDE5AEPHX2
SCHEMBL507021 0.85 WDR5 (0.36) PTGESDHODHEPHX2NR1H4
SCHEMBL507020 0.85 WDR5 (0.36) PTGESDHODHEPHX2NR1H4
SCHEMBL507680 0.84 NPC1 (0.40) ESR1ESR2
SCHEMBL507100 0.84 NPC1 (0.40) ESR1ESR2
SCHEMBL2575797 0.84 ESR1 (0.37) MAPK1ESR1ESR2EPHX2
SCHEMBL2575799 0.84 ESR1 (0.37) MAPK1ESR1ESR2EPHX2
SCHEMBL507031 0.83 ESR2 (0.40) MAPK1ESR2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
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 MAPK1 3503/4885ESR1 331/4885ESR2 210/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MAPK1 3410/4885ESR1 311/4885ESR2 319/4885

“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.