SCHEMBL507472

SCHEMBL507472

O=C(N1CCc2ccc(Cl)c(NCc3ccccn3)c2CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HCRTR2 O43614 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
AURKA O14965 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL506555 0.85 ESR1 (0.39) ESR1ESR2ADORA2BCYP1A2ACKR3
SCHEMBL507493 0.85 NAMPT (0.44) HTTKDM4EALDH1A1KMT2A
SCHEMBL507662 0.82 ESR1 (0.41) KDM4EESR1ESR2ALDH1A1HPGD
SCHEMBL3965830 0.82 THRB (0.41) HTTKDM4EESR1ESR2LMNA
SCHEMBL506933 0.82 ESR1 (0.36) HTTESR1ESR2ALDH1A1POLB
SCHEMBL507003 0.81 KDR (0.39) ESR1ESR2
SCHEMBL506344 0.81 ESR1 (0.44) HTTESR1ESR2ALDH1A1HPGD
SCHEMBL5692508 0.80 ESR1 (0.47) ESR1ESR2MAPTACKR3
SCHEMBL506258 0.80 ESR2 (0.51) HTTESR1ESR2HPGDACKR3
SCHEMBL506372 0.80 ESR1 (0.39) HTTKDM4EESR1ESR2ALDH1A1

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 HTT 770/4885KDM4E 1208/4885ESR1 331/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTT 581/4885KDM4E 623/4885ESR1 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.