SCHEMBL1397709

SCHEMBL1397709

CNc1cnc(Cl)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C(C)(C)C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CCR9 P51686 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
LIPG Q9Y5X9 2/20 0.32
RPS6KB1 P23443 1/20 0.32
LIPC P11150 1/20 0.32
C5AR1 P21730 1/20 0.32
RAF1 P04049 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1397554 0.89 CCR9 (0.38) OPRM1OPRD1CCR9SIGMAR1RPS6KB1
SCHEMBL3574044 0.89 NR1H4 (0.37) OPRM1OPRD1CCR9SIGMAR1
SCHEMBL1397542 0.84 OPRM1 (0.35) OPRM1OPRD1CCR9SIGMAR1LIPG
SCHEMBL3580029 0.83 MLYCD (0.34) OPRM1OPRD1SIGMAR1LIPGRPS6KB1
SCHEMBL3216863 0.81 C5AR1 (0.41) CCR9C5AR1ALDH1A1GAA
SCHEMBL3584245 0.81 SIGMAR1 (0.34) OPRM1OPRD1SIGMAR1LIPGTSHR
SCHEMBL3574429 0.77 KDM4C (0.39) OPRM1OPRD1SIGMAR1TSHRALDH1A1
SCHEMBL3579370 0.77 SLC2A1 (0.39) MEN1KMT2ACYP1A2MAPTCYP2C19
SCHEMBL1397777 0.76 LMNA (0.40) C5AR1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3571051 0.75 NR1H4 (0.37) OPRM1OPRD1SIGMAR1TSHR

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-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2007726-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-31 EP disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185113-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-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 OPRM1 241/4885OPRD1 479/4885CCR9 3008/4885

“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.