SCHEMBL1718944

SCHEMBL1718944

CCCCCCc1cccc(-c2ncc(C(=O)N3CCCN(CCO)CC3)n2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
FAAH O00519 2/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
PLA2G2A P14555 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CES1 P23141 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1719646 0.83 PARP1 (0.39) PARP1POLBKDM4ESIGMAR1PLA2G2A
SCHEMBL1719832 0.82 L3MBTL3 (0.42)
SCHEMBL1719987 0.77 POLR1A (0.37) FAAHSPHK2
SCHEMBL2200295 0.72 PARP1 (0.40) PARP1POLBKDM4ESIGMAR1PLA2G2A
SCHEMBL3402239 0.67 CNR1 (0.49) PARP1NPC1KMT2ATHRBSMN1; SMN2
SCHEMBL1719315 0.66 CYP2C9 (0.41)
SCHEMBL1719250 0.65 L3MBTL3 (0.41)
SCHEMBL1719045 0.65 L3MBTL3 (0.41)
SCHEMBL3405569 0.65 CNR1 (0.48) PARP1MEN1KMT2ATHRB
SCHEMBL3401176 0.64 CNR1 (0.60) PARP1NPC1GAASMN1; SMN2

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 9 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
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 PARP1 4140/4885POLB 4508/4885KDM4E 1739/4885

“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.