SCHEMBL1720542

SCHEMBL1720542

Cn1c(-c2ccc(Cl)c(Cl)c2)nc(-c2cncnc2)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
IKBKB O14920 1/20 0.42
L3MBTL1 Q9Y468 9/20 0.41
L3MBTL3 Q96JM7 8/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
LRRK2 Q5S007 1/20 0.40
PIK3CA P42336 3/20 0.40
MTOR P42345 3/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL4 Q8NA19 2/20 0.39
MBTD1 Q05BQ5 1/20 0.39
TP53BP1 Q12888 1/20 0.39

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
SCHEMBL1720681 0.90 CYP2C9 (0.50) CYP3A4CYP2D6CYP2C19IKBKBL3MBTL1
SCHEMBL1719474 0.84 HRH3 (0.41) L3MBTL1L3MBTL3ALDH1A1CYP2C9L3MBTL4
SCHEMBL1720249 0.84 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C19IKBKBL3MBTL1
SCHEMBL1719041 0.83 ACACB (0.43) L3MBTL1L3MBTL3CYP2C9
SCHEMBL1720677 0.83 L3MBTL3 (0.42) L3MBTL1L3MBTL3LMNACYP2C9L3MBTL4
SCHEMBL1719569 0.82 PIK3CD (0.44) L3MBTL1L3MBTL3CYP2C9L3MBTL4MBTD1
SCHEMBL1720233 0.81 MCHR1 (0.39) L3MBTL1L3MBTL3L3MBTL4MBTD1TP53BP1
SCHEMBL1719055 0.81 CYP2D6 (0.40) CYP2D6CYP2C19L3MBTL1L3MBTL3CYP2C9
SCHEMBL1719315 0.79 CYP2C9 (0.41) CYP2D6CYP2C19L3MBTL1L3MBTL3LMNA
SCHEMBL1720532 0.76 CYP2C9 (0.49) L3MBTL1L3MBTL3CYP2C9

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
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
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 CYP3A4 541/4885CYP2D6 583/4885CYP2C19 794/4885

“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.