SCHEMBL506510

SCHEMBL506510

CCc1ccc2c(c1NC(C)c1ccc(F)cc1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
ACKR3 P25106 1/20 0.36
MAPK1 P28482 1/20 0.35
KCNK3 O14649 1/20 0.35
IDH1 O75874 1/20 0.34
ACACB O00763 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MC4R P32245 1/20 0.34
PTGER4 P35408 1/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 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
SCHEMBL506509 1.00 ESR1 (0.39) ESR1ESR2ALDH1A1LMNAACKR3
SCHEMBL507478 0.87 ESR1 (0.40) ESR1ESR2ACKR3MAPK1ACACB
SCHEMBL508096 0.87 ESR1 (0.42) ESR1ESR2MAPK1ACACBHTT
SCHEMBL508097 0.87 ESR1 (0.42) ESR1ESR2MAPK1ACACBHTT
SCHEMBL507477 0.87 ESR1 (0.40) ESR1ESR2ACKR3MAPK1ACACB
SCHEMBL507438 0.79 ESR1 (0.43) ESR1ESR2ACACB
SCHEMBL507638 0.77 MAPKAPK2 (0.37) ALDH1A1LMNAIDH1HTTMEN1
SCHEMBL507639 0.77 MAPKAPK2 (0.37) ALDH1A1LMNAIDH1HTTMEN1
SCHEMBL507135 0.77 ESR1 (0.43) ESR1ESR2ALDH1A1ACKR3ACACB
SCHEMBL507134 0.77 ESR1 (0.43) ESR1ESR2ALDH1A1ACKR3ACACB

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 210/4885ALDH1A1 866/4885
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 319/4885ALDH1A1 500/4885

“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.