SCHEMBL1719474

SCHEMBL1719474

Cn1c(-c2ccc(C(F)(F)F)cc2)nc(-c2cncnc2)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
L3MBTL3 Q96JM7 12/20 0.40
L3MBTL1 Q9Y468 12/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MBTD1 Q05BQ5 4/20 0.40
TP53BP1 Q12888 2/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
CYP2C9 P11712 1/20 0.39
STAT3 P40763 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL1720677 0.91 L3MBTL3 (0.42) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1719038 0.90 CYP2C9 (0.49) L3MBTL3L3MBTL1ACACBACACAMBTD1
SCHEMBL1719312 0.90 HRH3 (0.44) HRH3L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1720233 0.89 MCHR1 (0.39) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1719041 0.89 ACACB (0.43) L3MBTL3L3MBTL1ACACBACACACYP2C9
SCHEMBL1720380 0.89 ALOX5AP (0.43) HRH3L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1719569 0.88 PIK3CD (0.44) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1716978 0.88 HRH3 (0.42) HRH3L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1720130 0.87 HRH3 (0.41) HRH3L3MBTL3L3MBTL1ACACBACACA
SCHEMBL1719259 0.86 PIK3CA (0.43) HRH3L3MBTL3L3MBTL1

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 HRH3 38/4885L3MBTL3 3062/4885L3MBTL1 3575/4885

“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.