SCHEMBL8097447

SCHEMBL8097447

CC(C)(c1cccc(CN)c1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
MAOB P27338 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
KIF11 P52732 2/20 0.45
IDO1 P14902 2/20 0.43
PNMT P11086 1/20 0.42
ENPP2 Q13822 1/20 0.42
LOXL2 Q9Y4K0 3/20 0.41
NOS1 P29475 4/20 0.40
NOS2 P35228 4/20 0.40
ALDH1A1 P00352 2/20 0.39
NOS3 P29474 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE2A O00408 1/20 0.38

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
SCHEMBL10233507 0.85 HTR2A (0.44) TAAR1HTR2AHTR2CHTR2BKIF11
SCHEMBL12024583 0.85 TAAR1 (0.52) TAAR1MAOBHTR2AHTR2CHTR2B
SCHEMBL2089239 0.81 TAAR1 (0.52) TAAR1MAOBHTR2AHTR2CHTR2B
SCHEMBL507652 0.80 KIF11 (0.50) TAAR1MAOBHTR2AHTR2CHTR2B
SCHEMBL39655 0.80 TAAR1 (0.71) TAAR1MAOBHTR2AHTR2CHTR2B
SCHEMBL29463258 0.80 TAAR1 (0.71) TAAR1MAOBHTR2AHTR2CHTR2B
SCHEMBL29755008 0.80 KIF11 (0.50) TAAR1MAOBHTR2AHTR2CHTR2B
SCHEMBL26031085 0.80 PDE2A (0.52) TAAR1MAOBKIF11IDO1LOXL2
Ethylamine SCHEMBL4238530 0.79 TAAR1 (0.65) TAAR1MAOBHTR2AHTR2CHTR2B
SCHEMBL25112970 0.79 TAAR1 (0.46) TAAR1MAOBHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 US disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP TAAR1 3759/4885MAOB 165/4885HTR2A 3195/4885

“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.