SCHEMBL3239405

SCHEMBL3239405

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)cc2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
DDR1 Q08345 1/20 0.41
ESRRG P62508 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
ESRRB O95718 1/20 0.39
CNR1 P21554 2/20 0.38
PDK1 Q15118 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
UTS2R Q9UKP6 1/20 0.37
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL12521112 0.96 ESRRG (0.41) C5AR1DDR1ESRRGTRPM8ESRRB
SCHEMBL12521136 0.95 LMNA (0.42) C5AR1DDR1ESRRGTRPM8ESRRB
SCHEMBL12520957 0.94 TP53 (0.43) C5AR1DDR1ESRRGTRPM8ESRRB
SCHEMBL12521093 0.93 C5AR1 (0.44) C5AR1TRPM8MEN1KMT2AOPRM1
SCHEMBL12520949 0.93 ESRRG (0.39) C5AR1DDR1ESRRGTRPM8ESRRB
SCHEMBL12520894 0.93 DDR1 (0.41) C5AR1DDR1ESRRGTRPM8ESRRB
SCHEMBL12521160 0.93 TACR1 (0.40) DDR1ESRRGTRPM8ESRRBPDK1
SCHEMBL12520984 0.92 DDR1 (0.38) C5AR1DDR1ESRRGTRPM8ESRRB
SCHEMBL12520932 0.92 DDR1 (0.38) C5AR1DDR1ESRRGTRPM8ESRRB
SCHEMBL12521098 0.91 TRPM8 (0.38) C5AR1DDR1ESRRGTRPM8ESRRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP claimed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
EP-1984322-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-10-29 EP disclosed
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 C5AR1 734/4885DDR1 3734/4885ESRRG 2271/4885

“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.