SCHEMBL3729917

SCHEMBL3729917

Cc1ccc(C(N)CCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KCNH2 Q12809 3/20 0.43
TMEM97 Q5BJF2 3/20 0.43
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FDFT1 P37268 2/20 0.40
CCR3 P51677 1/20 0.40
DAO P14920 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
IDO1 P14902 2/20 0.39

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
SCHEMBL3740691 0.84 KCNH2 (0.56) UTS2RTAAR1KCNH2TMEM97MAOB
SCHEMBL8242110 0.84 TACR1 (0.47) TAAR1KCNH2MAOBCCR3
SCHEMBL3738246 0.84 TACR1 (0.50) TAAR1KCNH2TMEM97MAOBFDFT1
SCHEMBL3604156 0.84 TACR1 (0.47) TAAR1KCNH2MAOBCCR3
SCHEMBL3732187 0.84 MEN1 (0.60) TAAR1MAOBMEN1KMT2ACCR3
SCHEMBL3730922 0.84 MEN1 (0.60) TAAR1MAOBMEN1KMT2ACCR3
Hydrochloric Acid SCHEMBL3733660 0.83 KCNH2 (0.55) UTS2RTAAR1KCNH2TMEM97MAOB
Hydrochloric Acid SCHEMBL2321850 0.83 TACR1 (0.46) TAAR1KCNH2MAOBCCR3
Hydrochloric Acid SCHEMBL3746416 0.83 TACR1 (0.49) TAAR1KCNH2MAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL2321848 0.83 TACR1 (0.46) TAAR1KCNH2MAOBCCR3

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
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 UTS2R 221/4885TAAR1 34/4885BCHE 2224/4885

“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.