SCHEMBL12296155

SCHEMBL12296155

NCc1cc(CF)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.45
TAAR1 Q96RJ0 2/20 0.41
MAOB P27338 3/20 0.40
LOXL2 Q9Y4K0 2/20 0.37
LOX P28300 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
TACR1 P25103 3/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
NPBWR1 P48145 1/20 0.33
DAO P14920 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
SCHEMBL42797 0.86 IDO1 (0.58) IDO1TAAR1MAOBLOXL2LOX
Hydrochloric Acid SCHEMBL2898331 0.84 IDO1 (0.59) IDO1TAAR1MAOBLOXL2LOX
SCHEMBL5776968 0.84 IDO1 (0.54) IDO1TAAR1TACR1CACNA1FCACNA1D
SCHEMBL3350229 0.83 LOXL2 (0.39) TAAR1LOXL2LOX
Methane SCHEMBL4031512 0.82 IDO1 (0.57) IDO1TAAR1MAOBLOXL2LOX
SCHEMBL11967044 0.78 IDO1 (0.41) IDO1TAAR1HTR2AHTR2CHTR2B
SCHEMBL29463268 0.78 IDO1 (0.45) IDO1TAAR1MAOBLOXL2LOX
SCHEMBL17048741 0.78 IDO1 (0.50) IDO1TAAR1MAOBLOXL2BACE1
SCHEMBL43211 0.78 IDO1 (0.45) IDO1TAAR1MAOBLOXL2LOX
SCHEMBL10200704 0.78 IDO1 (0.45) IDO1TAAR1MAOBLOXL2LOX

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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 IDO1 679/4885TAAR1 65/4885MAOB 455/4885

“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.