SCHEMBL507487

SCHEMBL507487

CC1(C)CCCC(Oc2ccc(CNc3c(Cl)ccc4c3CCN(C(=O)C(F)(F)F)CC4)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
SCN9A Q15858 1/20 0.34
EPHX2 P34913 1/20 0.33
ACACB O00763 2/20 0.32
FFAR4 Q5NUL3 4/20 0.32
ADRB2 P07550 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALK Q9UM73 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
IDH1 O75874 3/20 0.31

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
SCHEMBL508087 0.89 FAAH (0.39) ESR1ESR2EPHX2ACACBADRB2
SCHEMBL507977 0.89 FAAH (0.39) ESR1ESR2EPHX2ACACBADRB2
SCHEMBL506930 0.82 ESR1 (0.49) ESR1ESR2KMT2A
SCHEMBL507874 0.81 ESR1 (0.36) ESR1ESR2ACACBMEN1KMT2A
SCHEMBL10230022 0.80 HTR2C (0.34) SCN9A
Succinic Acid SCHEMBL508235 0.80 FFAR4 (0.33) SCN9AFFAR4IDH1
SCHEMBL506391 0.80 ESR1 (0.39) ESR1ESR2ACACB
SCHEMBL507875 0.79 GRM2 (0.39) ESR1ESR2EPHX2ACACB
SCHEMBL12160192 0.79 ESR1 (0.42) ESR1ESR2MEN1KMT2A
SCHEMBL506344 0.79 ESR1 (0.44) ESR1ESR2KMT2A

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 210/4885SCN9A 1172/4885
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 319/4885SCN9A 1265/4885

“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.