SCHEMBL3730107

SCHEMBL3730107

Cc1cc(C(=O)CCc2ccc(C(F)(F)F)cn2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
DAO P14920 1/20 0.41
PPARD Q03181 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MMP1 P03956 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3741070 0.85 PIM1 (0.45) PIM1DAOMCHR1KMT2AMMP1
SCHEMBL3738007 0.81 PDPK1 (0.44) PIM1PPARDHDAC1PPARGPPARA
SCHEMBL3735555 0.80 PIM1 (0.48) PIM1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3746155 0.78 PIM1 (0.43) PIM1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3737701 0.77 PIM1 (0.44) PIM1KMT2APOLBGAAKDM4E
SCHEMBL3743226 0.76 PIM1 (0.42) PIM1DAOPPARDTRPM8
SCHEMBL3735346 0.76 PIM1 (0.49) PIM1KMT2APOLBGAAMEN1
SCHEMBL3729518 0.76 PDE4D (0.56) DAOMCHR1KMT2A
SCHEMBL264416 0.74 DAO (0.41) DAOPPARDHDAC3HDAC1HDAC2
SCHEMBL29551173 0.73 KMT2A (0.51) DAOPPARDMCHR1KMT2APPARG

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 PIM1 4785/4885DAO 483/4885PPARD 2941/4885

“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.