SCHEMBL3581265

SCHEMBL3581265

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cc(Cl)cnc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
CCR9 P51686 1/20 0.39
ESRRG P62508 2/20 0.37
ESRRB O95718 1/20 0.36
C5AR1 P21730 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP2C19 P33261 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9957773 0.90 NR1H4 (0.38) NR1H4ESRRGESRRBC5AR1OPRM1
SCHEMBL9958256 0.90 NR1H4 (0.38) NR1H4ESRRGESRRBOPRM1OPRD1
SCHEMBL3576692 0.89 ESRRG (0.37) NR1H4CCR9ESRRGESRRBC5AR1
SCHEMBL3585932 0.87 CCR9 (0.36) NR1H4CCR9ESRRGESRRBC5AR1
SCHEMBL3570650 0.85 CCR9 (0.41) NR1H4CCR9ESRRGESRRBHSP90AA1
SCHEMBL3580209 0.85 MCHR1 (0.40) NR1H4CCR9ESRRGESRRBOPRM1
SCHEMBL9957841 0.83 ESRRG (0.39) NR1H4ESRRGESRRBC5AR1OPRM1
SCHEMBL3573203 0.81 RAF1 (0.40) NR1H4ESRRGESRRBC5AR1OPRM1
SCHEMBL3576126 0.81 CYP2C19 (0.37) NR1H4ESRRGESRRBOPRM1OPRD1
SCHEMBL3579634 0.81 SERPINE1 (0.40) NR1H4CCR9ESRRGESRRBC5AR1

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 7 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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC NR1H4 2668/4885CCR9 4012/4885ESRRG 4686/4885

“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.