SCHEMBL3738007

SCHEMBL3738007

Cc1cc(C(=O)CCc2ccc(C(F)(F)F)cc2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
MMP1 P03956 1/20 0.43
PIM1 P11309 1/20 0.43
FFAR1 O14842 1/20 0.42
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
HDAC1 Q13547 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PPARD Q03181 2/20 0.41
SRD5A2 P31213 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL3729768 0.89 PDPK1 (0.46) PDPK1MMP1FFAR1PTPN1GSK3B
SCHEMBL3732779 0.87 PDPK1 (0.47) PDPK1MMP1FFAR1PTPN1GSK3B
SCHEMBL3733539 0.86 SLC5A1 (0.50) PIM1FFAR1F2F10
SCHEMBL3734214 0.85 FFAR1 (0.44) PDPK1MMP1FFAR1PTPN1GSK3B
SCHEMBL3730695 0.85 GPR84 (0.47) PDPK1PIM1FFAR1F2F10
SCHEMBL3742759 0.84 CNR1 (0.46) PDPK1MMP1FFAR1PTPN1GSK3B
SCHEMBL3729763 0.83 CNR1 (0.45) PDPK1MMP1FFAR1PTPN1GSK3B
SCHEMBL3743226 0.81 PIM1 (0.42) PIM1FFAR1PPARD
SCHEMBL3730107 0.81 PIM1 (0.42) MMP1PIM1PPARAPPARGHDAC1
SCHEMBL3743590 0.81 PDE4A (0.43) PDPK1MMP1FFAR1PTPN1GSK3B

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 2854/4885MMP1 4755/4885PIM1 4785/4885

“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.