SCHEMBL1718946

SCHEMBL1718946

Cn1c(-c2cccc(C(F)(F)F)c2)nc(Cl)c1C(=O)N1CCC(N2CCC[C@H]2CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CHRM3 P20309 3/20 0.38
MGLL Q99685 1/20 0.37
RORC P51449 2/20 0.37
HTR2C P28335 1/20 0.37
ADORA1 P30542 1/20 0.36
MAPK9 P45984 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
GRIN2B Q13224 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL1718950 1.00 TRPV1 (0.45) TRPV1MEN1ALDH1A1KMT2ASPHK2
SCHEMBL1719488 0.88 CHRNB2 (0.42) TRPV1MEN1ALDH1A1KMT2ACHRM3
SCHEMBL1718938 0.85 L3MBTL3 (0.44) ACACBACACA
SCHEMBL1083723 0.81 TRPV1 (0.47) TRPV1MEN1ALDH1A1KMT2ASPHK2
SCHEMBL1085069 0.81 TRPV1 (0.47) TRPV1MEN1ALDH1A1KMT2ASPHK2
SCHEMBL1083706 0.80 TRPV1 (0.47) TRPV1MEN1ALDH1A1KMT2ASPHK2
SCHEMBL1085174 0.80 TRPV1 (0.47) TRPV1MEN1ALDH1A1KMT2ASPHK2
SCHEMBL1083712 0.80 TRPV1 (0.46) TRPV1MEN1ALDH1A1KMT2ASPHK2
SCHEMBL1085607 0.80 TRPV1 (0.46) TRPV1MEN1ALDH1A1KMT2ASPHK2
SCHEMBL1720097 0.79 HCRTR1 (0.39) SPHK2SPHK1CHRM3MGLLHTR2C

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 12 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
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
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
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 TRPV1 102/4885MEN1 2430/4885ALDH1A1 1556/4885

“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.