SCHEMBL1397703

SCHEMBL1397703

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.37
HCRTR2 O43614 7/20 0.37
CCR9 P51686 6/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
F10 P00742 4/20 0.34
SERPINE1 P05121 1/20 0.34
RPS6KB1 P23443 1/20 0.34
KLKB1 P03952 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
SCHEMBL3579634 0.88 SERPINE1 (0.40) CCR9KDM4EALDH1A1GLAGAA
SCHEMBL1397638 0.88 HCRTR1 (0.37) HCRTR1HCRTR2CCR9
SCHEMBL1397562 0.87 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL1397554 0.84 CCR9 (0.38) CCR9KDM4EALDH1A1GLAGAA
SCHEMBL3575555 0.84 F10 (0.42) HCRTR1HCRTR2CCR9F10SERPINE1
SCHEMBL3576868 0.83 HCRTR1 (0.42) HCRTR1HCRTR2CCR9F10SERPINE1
SCHEMBL3583634 0.81 SERPINE1 (0.39) CCR9KDM4EALDH1A1GLAGAA
SCHEMBL3584396 0.80 C5AR1 (0.44) CCR9KDM4EALDH1A1GLAGAA
SCHEMBL3574044 0.80 NR1H4 (0.37) CCR9
SCHEMBL3581193 0.80 CCR9 (0.39) CCR9KDM4EALDH1A1GLAGAA

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 HCRTR1 3669/4885HCRTR2 3272/4885CCR9 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.