SCHEMBL507165

SCHEMBL507165

O=C(N1CCc2ccc(C(F)(F)F)c(NCc3cccc(F)c3)c2CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.42
GRM1 Q13255 3/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
ADORA2B P29275 1/20 0.38
GRM5 P41594 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
P2RY12 Q9H244 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPT P10636 3/20 0.36
FFAR1 O14842 1/20 0.36
PTK2 Q05397 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 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
SCHEMBL507174 0.79 GRM1 (0.41) GRM1ADORA2BGRM5P2RY12
SCHEMBL507394 0.78 HTR2C (0.40) ALDH1A1LMNAHPGD
Succinic Acid SCHEMBL508175 0.78 FFAR1 (0.44) NPC1RAB9ACHRM3FFAR1PTK2
SCHEMBL506854 0.77 NPC1 (0.43) ACKR3GRM1ESR1ESR2GRM5
SCHEMBL507090 0.77 ESR1 (0.41) ACKR3ESR1ESR2CHRM3FFAR1
SCHEMBL506873 0.76 ESR1 (0.40) ACKR3ESR1ESR2MAPTALDH1A1
SCHEMBL506869 0.75 GRM1 (0.43) ACKR3GRM1ESR1ESR2P2RY12
SCHEMBL3964983 0.74 ESR1 (0.41) ACKR3ESR1ESR2NPC1RAB9A
SCHEMBL506435 0.73 ESR1 (0.46) ACKR3ESR1ESR2
SCHEMBL507478 0.73 ESR1 (0.40) ACKR3ESR1ESR2MAPK1

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 ACKR3 588/4885GRM1 120/4885ESR1 331/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ACKR3 372/4885GRM1 102/4885ESR1 311/4885

“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.