SCHEMBL506539

SCHEMBL506539

Cc1ccc(C(C)Nc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
PRLHR P49683 4/20 0.32
ACKR3 P25106 1/20 0.32
KIT P10721 1/20 0.31
ACACB O00763 1/20 0.31
MAPK1 P28482 3/20 0.31
NOTUM Q6P988 1/20 0.30
CDK2 P24941 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL10476238 0.86 ESR1 (0.37) ESR1ESR2ACKR3
SCHEMBL506804 0.84 ESR1 (0.40) ESR1ESR2ACKR3
SCHEMBL507134 0.82 ESR1 (0.43) ESR1ESR2ACKR3ACACB
SCHEMBL507135 0.82 ESR1 (0.43) ESR1ESR2ACKR3ACACB
SCHEMBL507438 0.82 ESR1 (0.43) ESR1ESR2PRLHRACACB
SCHEMBL508096 0.81 ESR1 (0.42) ESR1ESR2PRLHRACACBMAPK1
SCHEMBL508097 0.81 ESR1 (0.42) ESR1ESR2PRLHRACACBMAPK1
SCHEMBL508047 0.80 ESR1 (0.40) ESR1ESR2PRLHRACKR3ACACB
SCHEMBL506602 0.80 ESR1 (0.41) ESR1ESR2PRLHRACACBMAPK1
SCHEMBL507772 0.79 ESR1 (0.41) 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 210/4885PRLHR 107/4885
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 319/4885PRLHR 104/4885

“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.