SCHEMBL1719486

SCHEMBL1719486

CCCCCCc1cccc(-c2nc(-c3cccnc3)c(C(=O)N3CCC(N4CCCC4CO)CC3)n2C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.37
SPHK1 Q9NYA1 5/20 0.37
CYP2C9 P11712 1/20 0.36
PDE10A Q9Y233 1/20 0.34
USP2 O75604 1/20 0.34
ATM Q13315 1/20 0.34
NAMPT P43490 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
HTR2C P28335 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HPGD P15428 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
SCHEMBL1719484 1.00 SPHK2 (0.37) SPHK2SPHK1CYP2C9PDE10AUSP2
SCHEMBL1718961 0.94 SPHK2 (0.37) SPHK2SPHK1HTR2C
SCHEMBL1718958 0.94 SPHK2 (0.37) SPHK2SPHK1HTR2C
SCHEMBL1724740 0.93 SPHK2 (0.38) SPHK2SPHK1CYP2C9TRPV1HTR2C
SCHEMBL1724742 0.93 SPHK2 (0.38) SPHK2SPHK1CYP2C9TRPV1HTR2C
SCHEMBL1719376 0.88 CYP2C9 (0.47) CYP2C9PDE10AUSP2ATMHPGD
SCHEMBL1720456 0.87 SPHK1 (0.40) SPHK2SPHK1HTR2C
SCHEMBL1719082 0.87 SPHK1 (0.40) SPHK2SPHK1HTR2C
SCHEMBL1720343 0.82 KIT (0.40) CYP2C9TRPV1
SCHEMBL1720345 0.82 KIT (0.40) CYP2C9TRPV1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SPHK2 1182/4885SPHK1 1866/4885CYP2C9 557/4885

“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.