SCHEMBL3743178

SCHEMBL3743178

O=C(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 12/20 0.67
WNT3A P56704 8/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
HPGD P15428 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
KLF5 Q13887 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
ATM Q13315 1/20 0.52

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
SCHEMBL3742835 0.92 CTNNB1 (0.58) CTNNB1WNT3ASMN1; SMN2ALDH1A1TDP1
SCHEMBL15969955 0.89 CTNNB1 (0.78) CTNNB1WNT3AALDH1A1HPGDPKM
SCHEMBL3734915 0.84 CTNNB1 (0.62) CTNNB1WNT3ASMN1; SMN2ALDH1A1TDP1
SCHEMBL3732219 0.83 CTNNB1 (0.47) CTNNB1WNT3ASMN1; SMN2ALDH1A1TDP1
SCHEMBL15979905 0.81 CTNNB1 (0.69) CTNNB1WNT3AALDH1A1HPGDPKM
SCHEMBL3739871 0.81 CTNNB1 (0.59) CTNNB1WNT3ASMN1; SMN2ALDH1A1TDP1
SCHEMBL30440557 0.81 CTNNB1 (1.00) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL15969308 0.81 CTNNB1 (1.00) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL13675928 0.79 TRPV1 (0.79) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL653025 0.79 PKM (0.87) CTNNB1WNT3AALDH1A1HPGDPKM

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 5 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
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO 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 CTNNB1 2968/4885WNT3A 3424/4885SMN1; SMN2 1970/4885

“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.