SCHEMBL507173

SCHEMBL507173

CC(Oc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.41
S1PR1 P21453 1/20 0.41
PPARA Q07869 1/20 0.39
FFAR1 O14842 1/20 0.39
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ROS1 P08922 1/20 0.36
ALK Q9UM73 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACACB O00763 1/20 0.34
ACKR3 P25106 1/20 0.34
FAAH O00519 1/20 0.34
CACNA1G O43497 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
PTGER4 P35408 1/20 0.33

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 0.88 ESR1 (0.39) ESR1ESR2ACACBACKR3
SCHEMBL507781 0.86 ESR1 (0.38) ESR1ESR2ACACBACKR3
SCHEMBL506930 0.85 ESR1 (0.49) ESR1ESR2KMT2A
SCHEMBL508688 0.84 PTGER4 (0.42) ACACBPTGER4
SCHEMBL508689 0.84 PTGER4 (0.42) ACACBPTGER4
SCHEMBL507875 0.84 GRM2 (0.39) ESR1ESR2ACACBACKR3
SCHEMBL2369362 0.84 ESR1 (0.35) ESR1ESR2ACACBACKR3
SCHEMBL506372 0.82 ESR1 (0.39) ESR1ESR2MEN1KMT2AACKR3
SCHEMBL506344 0.82 ESR1 (0.44) ESR1ESR2KMT2AACKR3
SCHEMBL2588177 0.82 ESR1 (0.38) ESR1ESR2ACACBACKR3

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 S1PR5 481/4885S1PR1 1060/4885PPARA 1888/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A S1PR5 585/4885S1PR1 1043/4885PPARA 2230/4885

“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.