SCHEMBL507003

SCHEMBL507003

O=C(N1CCc2ccc(Cl)c(NCc3ccc4ncccc4c3)c2CC1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.39
FLT1 P17948 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ENPP2 Q13822 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR3 P51677 1/20 0.37
CDK9 P50750 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
PDE5A O76074 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
SCHEMBL507671 0.83 ESR1 (0.38) ESR1ESR2ENPP2SMN1; SMN2PDE5A
SCHEMBL506435 0.82 ESR1 (0.46) ESR1ESR2ENPP2PDE5A
SCHEMBL506344 0.81 ESR1 (0.44) ESR1ESR2SMN1; SMN2
SCHEMBL507472 0.81 HTT (0.42) ESR1ESR2
SCHEMBL506258 0.80 ESR2 (0.51) ESR1ESR2ENPP2
SCHEMBL506885 0.80 GPR142 (0.43) KDRFLT1ESR1ESR2
SCHEMBL12160192 0.80 ESR1 (0.42) ESR1ESR2ENPP2PDE5A
SCHEMBL507090 0.79 ESR1 (0.41) ESR1ESR2TRPV1
SCHEMBL508349 0.79 PDE5A (0.40) ESR1ESR2ENPP2PDE5A
SCHEMBL506844 0.79 ESR1 (0.39) ESR1ESR2

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 KDR 735/4885FLT1 2119/4885ESR1 331/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KDR 839/4885FLT1 1890/4885ESR1 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.