SCHEMBL507875

SCHEMBL507875

CC(Oc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.39
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
HTR2A P28223 2/20 0.33
EPHX2 P34913 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ACACB O00763 2/20 0.33
ACKR3 P25106 1/20 0.33
EPHX1 P07099 1/20 0.33
DPP4 P27487 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 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
SCHEMBL506391 0.87 ESR1 (0.39) ESR1ESR2ACACBACKR3
SCHEMBL507977 0.86 FAAH (0.39) ESR1ESR2EPHX2ACACB
SCHEMBL508087 0.86 FAAH (0.39) ESR1ESR2EPHX2ACACB
SCHEMBL507781 0.86 ESR1 (0.38) ESR1ESR2ACACBACKR3
SCHEMBL507173 0.84 S1PR5 (0.41) ESR1ESR2ACACBACKR3
SCHEMBL506930 0.84 ESR1 (0.49) ESR1ESR2HPGD
SCHEMBL507856 0.84 ESR1 (0.38) ESR1ESR2EPHX2SMN1; SMN2ACKR3
SCHEMBL2588177 0.83 ESR1 (0.38) ESR1ESR2EPHX2ACACBACKR3
SCHEMBL2580046 0.82 ESR1 (0.37) ESR1ESR2SMN1; SMN2ACKR3HPGD
SCHEMBL508213 0.82 ESR1 (0.37) ESR1ESR2SMN1; SMN2HPGD

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 GRM2 121/4885ESR1 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 GRM2 125/4885ESR1 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.