SCHEMBL507307

SCHEMBL507307

NCc1ccc(C(=O)NCc2ncccc2C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
HDAC6 Q9UBN7 2/20 0.49
EPHX2 P34913 9/20 0.47
PPARG P37231 4/20 0.45
HSD17B13 Q7Z5P4 1/20 0.44
HTR2C P28335 1/20 0.44
CD38 P28907 1/20 0.44
MLYCD O95822 1/20 0.43
PTGES O14684 1/20 0.42
HDAC3 O15379 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ADORA1 P30542 1/20 0.42
TRPV1 Q8NER1 2/20 0.42

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
SCHEMBL506324 0.84 ADORA2A (0.50) ADORA2AHDAC6HDAC3NCOR2ADORA1
SCHEMBL16269305 0.76 ADORA2A (0.50) ADORA2AHSD17B13CD38PTGESADORA1
Benzylamine SCHEMBL25375980 0.74 CD38 (0.42) ADORA2ACD38
SCHEMBL25376651 0.74 TXNRD1 (0.49) ADORA2ACD38PTGES
SCHEMBL4908766 0.74 ALDH1A1 (0.52) ADORA2AHDAC6HSD17B13CD38PTGES
SCHEMBL29906723 0.74 SMN1; SMN2 (0.54) ADORA2AHSD17B13
SCHEMBL506163 0.74 LMNA (0.70)
SCHEMBL507223 0.73 MLYCD (0.51) PPARGMLYCD
SCHEMBL29505869 0.73 HSD17B13 (0.51) ADORA2AEPHX2HSD17B13CD38PTGES
SCHEMBL30693968 0.73 HSD17B13 (0.46) ADORA2AHDAC6HSD17B13CD38PTGES

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 ADORA2A 104/4885HDAC6 1861/4885EPHX2 1833/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ADORA2A 38/4885HDAC6 2510/4885EPHX2 1418/4885

“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.