SCHEMBL3734666

SCHEMBL3734666

O=C(CCc1ccc(C(F)(F)F)cc1)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
CYP19A1 P11511 1/20 0.48
ABCB1 P08183 2/20 0.47
TP53 P04637 1/20 0.46
FFAR1 O14842 2/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
RPS6KA3 P51812 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43

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
SCHEMBL3734285 0.84 PDPK1 (0.51) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL15988662 0.84 MMP1 (0.55) PDPK1CYP11B1CYP11B2KCNJ5KCNJ3
SCHEMBL3744408 0.82 PDPK1 (0.50) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL27317568 0.79 NPC1 (0.72) PLAAT3PLAAT5PLAAT2PLAAT4TP53
SCHEMBL3739850 0.79 PPARA (0.60) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL658098 0.78 PDPK1 (0.67) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL17952713 0.78 RAB9A (0.59) PLAAT3PLAAT5PLAAT2PLAAT4CYP19A1
SCHEMBL6356701 0.75 MAPK14 (0.56) TP53RPS6KA3
SCHEMBL3609466 0.75 NPC1 (0.59) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL15979733 0.75 CES2 (0.62) TP53POLBERCC5FEN1

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 PDPK1 2854/4885PLAAT3 1603/4885PLAAT5 2085/4885

“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.