SCHEMBL1719005

SCHEMBL1719005

O=C(c1c(-c2ccc(N(Cc3ccccc3)Cc3ccccc3)nc2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
DAGLB Q8NCG7 2/20 0.37
DAGLA Q9Y4D2 2/20 0.37
MCHR1 Q99705 3/20 0.37
MCHR2 Q969V1 1/20 0.36
SCN9A Q15858 2/20 0.36
DDHD2 O94830 1/20 0.36
CHRM4 P08173 2/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2B P41595 1/20 0.35
ATR Q13535 1/20 0.35
L3MBTL3 Q96JM7 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ADRA1A P35348 1/20 0.34
SERPINE1 P05121 1/20 0.34
TP53BP1 Q12888 1/20 0.34
MBTD1 Q05BQ5 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
SCHEMBL1720106 0.93 ACHE (0.36) ACHEMCHR1AVPR2AVPR1ACCR5
SCHEMBL15075656 0.87 DAGLB (0.41) DAGLBDAGLASCN9ADDHD2CHRM4
SCHEMBL1719689 0.87 DAGLB (0.40) DAGLBDAGLASCN9ADDHD2CHRM4
SCHEMBL1719693 0.87 TRPM8 (0.41) DAGLBDAGLASCN9ADDHD2SERPINE1
SCHEMBL1719691 0.85 DAGLB (0.39) DAGLBDAGLASCN9ADDHD2CHRM4
SCHEMBL1719436 0.85 DAGLB (0.39) DAGLBDAGLAMCHR1SCN9ADDHD2
SCHEMBL1724292 0.84 MCHR1 (0.38) ACHEMCHR1MCHR2SCN9AHTR2B
SCHEMBL1719495 0.84 PIK3CA (0.40) MCHR1MCHR2ATRL3MBTL3L3MBTL1
SCHEMBL1719200 0.83 MCHR1 (0.39) ACHEMCHR1MCHR2SCN9AHTR2B
SCHEMBL1719831 0.83 FFAR4 (0.39) ACHEDAGLBDAGLAMCHR1MCHR2

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
CN-101687844-B Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2013-11-13 CN disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2173735-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US disclosed
WO-2009003861-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 ACHE 3208/4885DAGLB 4772/4885DAGLA 4813/4885

“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.