SCHEMBL3743260

SCHEMBL3743260

COc1ccc(F)cc1C(=O)CCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.48
▸ PPARG P37231 1/20 0.48
▸ FFAR4 Q5NUL3 3/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ P2RX7 Q99572 3/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.38
▸ PIN1 Q13526 3/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ FFAR2 O15552 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
SCHEMBL3730897 0.91 MEN1 (0.50) PPARAPPARGFFAR4FFAR1MEN1
SCHEMBL3730083 0.88 PPARG (0.47) PPARAPPARGMEN1KMT2A
SCHEMBL3736215 0.82 ACHE (0.46) PPARAMEN1KMT2ARAB9ACSF1R
SCHEMBL3739676 0.82 ACHE (0.56) MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3737879 0.81 CPS1 (0.41) FFAR1MEN1KMT2ANPC1RAB9A
SCHEMBL3744520 0.80 ACHE (0.46) CSF1RDAO
SCHEMBL3732581 0.78 DAO (0.41) FFAR4RAB9ADAOTRPV3
SCHEMBL3735670 0.78 ACHE (0.46) PPARAFFAR4FFAR1CSF1RDAO
SCHEMBL26532971 0.77 FFAR4 (0.52) PPARAPPARGFFAR4FFAR1MEN1
SCHEMBL3729921 0.77 DAO (0.40) FFAR4CSF1RDAO

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 3359/4885FFAR4 412/4885

“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.

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