SCHEMBL3740357

SCHEMBL3740357

Cc1ccc(F)c(C(=O)CCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
RAB9A P51151 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
FFAR1 O14842 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HSP90AA1 P07900 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PDPK1 O15530 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 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
SCHEMBL3732581 0.81 DAO (0.41) RAB9ASLC5A1SLC5A2
SCHEMBL3734285 0.80 PDPK1 (0.51) PPARAPPARGRAB9AFFAR1HDAC1
SCHEMBL3738007 0.78 PDPK1 (0.44) PPARAPPARGFFAR1HDAC1HDAC8
SCHEMBL3738051 0.77 PDPK1 (0.51) RAB9AFFAR1PDPK1PLAAT3PLAAT5
SCHEMBL3732779 0.76 PDPK1 (0.47) FFAR1HDAC1HDAC8TAAR1PDPK1
SCHEMBL3744408 0.76 PDPK1 (0.50) PPARAPPARGRAB9AFFAR1PDPK1
SCHEMBL25435164 0.73 MEN1 (0.40) RAB9AMEN1KMT2A
SCHEMBL11811583 0.73 KMT2A (0.70) RAB9AFFAR1MEN1KMT2A
SCHEMBL3739850 0.73 PPARA (0.60) PPARAPPARGHDAC1HDAC8PDPK1
SCHEMBL3742759 0.73 CNR1 (0.46) FFAR1HDAC1HDAC8TAAR1PDPK1

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 PPARA 2560/4885PPARG 3359/4885RAB9A 1267/4885

“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.