SCHEMBL507398

SCHEMBL507398

CC(NC(=O)c1ccc(C#N)cc1F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
S1PR3 Q99500 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPT P10636 3/20 0.45
PKM P14618 1/20 0.45
GAA P10253 1/20 0.45
GPR27 Q9NS67 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.42
HAT1 O14929 1/20 0.42
EP300 Q09472 1/20 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
SCHEMBL507397 1.00 TRPA1 (0.52) TRPA1S1PR3MEN1KMT2AS1PR4
SCHEMBL12670950 0.86 TRPA1 (0.56) TRPA1S1PR3MEN1KMT2AS1PR4
SCHEMBL1417563 0.78 KMT2A (0.56) TRPA1S1PR3MEN1KMT2AMAPT
SCHEMBL506371 0.77 MEN1 (0.52) TRPA1S1PR3MEN1KMT2AMAPT
SCHEMBL507425 0.77 LOXL2 (0.45) POLB
SCHEMBL507424 0.77 LOXL2 (0.45) POLB
SCHEMBL28434660 0.76 ALOX5AP (0.44) POLB
SCHEMBL16240372 0.76 ALOX5AP (0.44) POLB
SCHEMBL14850885 0.75 KMT2A (0.56) TRPA1S1PR3MEN1KMT2AMAPT
SCHEMBL12780519 0.75 TRPA1 (0.47) TRPA1S1PR3MEN1KMT2AMAPT

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 TRPA1 484/4885S1PR3 954/4885MEN1 3996/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A TRPA1 439/4885S1PR3 961/4885MEN1 3801/4885

“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.