SCHEMBL1719285

SCHEMBL1719285

Nc1ccc(-c2nc(-c3cccc(OC(F)(F)F)c3)n(C3CC3)c2C(=O)N2CCC(N3CCCC3)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.40
PIK3CA P42336 11/20 0.39
MTOR P42345 11/20 0.39
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
MCHR1 Q99705 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATR Q13535 1/20 0.38
ITK Q08881 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL1719887 0.92 SLC6A7 (0.40) SLC6A7MAP3K7TAB1MCHR1CYP2D6
SCHEMBL1719495 0.91 PIK3CA (0.40) PIK3CAMTORMCHR1ATRHRH3
SCHEMBL1720507 0.88 CYP2C9 (0.47) SLC6A7MCHR1CYP2D6CYP2C19NPSR1
SCHEMBL1720511 0.88 CYP2C9 (0.40) SLC6A7MAP3K7TAB1MCHR1CYP2D6
SCHEMBL1720242 0.87 CYP2D6 (0.39) SLC6A7MAP3K7TAB1MCHR1CYP2D6
SCHEMBL1719202 0.86 DGAT2 (0.40) SLC6A7MCHR1CYP2D6CYP2C19NPSR1
SCHEMBL1720454 0.85 SLC6A7 (0.40) SLC6A7MCHR1CYP2D6CYP2C19NPSR1
SCHEMBL1720106 0.85 ACHE (0.36) SLC6A7MCHR1CYP2D6CYP2C19NPSR1
SCHEMBL1719441 0.84 ABL1 (0.39) PIK3CAMTORMAP3K7TAB1MCHR1
SCHEMBL1720300 0.84 CYP2D6 (0.43) SLC6A7MCHR1CYP2D6CYP2C19NPSR1

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 10 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
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
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US 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 SLC6A7 1808/4885PIK3CA 4222/4885MTOR 4145/4885

“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.