SCHEMBL3732779

SCHEMBL3732779

O=C(CCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
MMP1 P03956 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PTPN1 P18031 2/20 0.45
GSK3B P49841 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
FFAR1 O14842 1/20 0.45
HDAC1 Q13547 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
DPP4 P27487 1/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
SRD5A2 P31213 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 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
SCHEMBL3742759 0.87 CNR1 (0.46) PDPK1MMP1PTPN1GSK3BTAAR1
SCHEMBL3738007 0.87 PDPK1 (0.44) PDPK1MMP1PTPN1GSK3BTAAR1
SCHEMBL3743590 0.84 PDE4A (0.43) PDPK1MMP1PTPN1GSK3BTAAR1
SCHEMBL6201845 0.83 MMP1 (0.54) PDPK1MMP1PTPN1GSK3BFFAR1
SCHEMBL3729768 0.81 PDPK1 (0.46) PDPK1MMP1MAPTPTPN1GSK3B
SCHEMBL3729763 0.81 CNR1 (0.45) PDPK1MMP1MAPTPTPN1GSK3B
SCHEMBL3732559 0.81 CES2 (0.56) PDPK1FFAR1HDAC1F2F10
Hydrochloric Acid SCHEMBL5752228 0.81 MMP1 (0.51) PDPK1MMP1PTPN1GSK3BFFAR1
SCHEMBL3732820 0.80 PDPK1 (0.51) PDPK1FFAR1F2F10PLAAT3
SCHEMBL3743902 0.79 CTNNB1 (0.51) PDPK1MMP1MAPTPTPN1GSK3B

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 4755/4885LMNA 3364/4885

“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.