SCHEMBL507772

SCHEMBL507772

CC(Nc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
TNF P01375 10/20 0.37
MAPKAPK2 P49137 1/20 0.36
MC4R P32245 2/20 0.36
ACKR3 P25106 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN8A Q9UQD0 1/20 0.35

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
SCHEMBL10476119 0.88 ESR1 (0.42) ESR1ESR2TNFDPP4DPP7
SCHEMBL507135 0.87 ESR1 (0.43) ESR1ESR2ACKR3
SCHEMBL507134 0.87 ESR1 (0.43) ESR1ESR2ACKR3
SCHEMBL508097 0.84 ESR1 (0.42) ESR1ESR2MC4R
SCHEMBL508096 0.84 ESR1 (0.42) ESR1ESR2MC4R
SCHEMBL506760 0.83 ESR1 (0.42) ESR1ESR2DPP4DPP7
SCHEMBL507438 0.82 ESR1 (0.43) ESR1ESR2
SCHEMBL507087 0.82 ESR1 (0.36) ESR1ESR2ACKR3
SCHEMBL506880 0.82 ESR1 (0.42) ESR1ESR2TNFACKR3DPP4
SCHEMBL506804 0.81 ESR1 (0.40) ESR1ESR2ACKR3

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 ESR1 331/4885ESR2 210/4885TNF 4619/4885
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 319/4885TNF 4436/4885

“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.