SCHEMBL1719082

SCHEMBL1719082

CCCCCCc1cccc(-c2nc(I)c(C(=O)N3CCC(N4CCCC4CO)CC3)n2C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.40
SPHK2 Q9NRA0 11/20 0.40
HTR2C P28335 1/20 0.35
CHRM3 P20309 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL1720456 1.00 SPHK1 (0.40) SPHK1SPHK2HTR2CCHRM3MEN1
SCHEMBL1724740 0.88 SPHK2 (0.38) SPHK1SPHK2HTR2CCHRM3
SCHEMBL1724742 0.88 SPHK2 (0.38) SPHK1SPHK2HTR2CCHRM3
SCHEMBL1718961 0.88 SPHK2 (0.37) SPHK1SPHK2HTR2CCHRM3MEN1
SCHEMBL1718958 0.88 SPHK2 (0.37) SPHK1SPHK2HTR2CCHRM3MEN1
SCHEMBL1719045 0.87 L3MBTL3 (0.41) ACACBACACA
SCHEMBL1719486 0.87 SPHK2 (0.37) SPHK1SPHK2HTR2C
SCHEMBL1719484 0.87 SPHK2 (0.37) SPHK1SPHK2HTR2C
SCHEMBL1720433 0.81 HCRTR1 (0.39) SPHK1SPHK2HTR2CCHRM3MGLL
SCHEMBL1719185 0.81 HCRTR1 (0.39) SPHK1SPHK2HTR2CCHRM3MGLL

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 8 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 claimed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP claimed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US claimed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US claimed
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
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 SPHK1 1866/4885SPHK2 1182/4885HTR2C 520/4885

“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.