Sugi Predict

Sugi Predict / Compounds / SCHEMBL1720347

SCHEMBL1720347

SCHEMBL1720347

Cn1c(C(=O)N2CCC(N3CCCC3)CC2)cnc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 7/20 0.46
▸ L3MBTL1 Q9Y468 6/20 0.46
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ACACB O00763 1/20 0.45
▸ ACACA Q13085 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ GRIN2B Q13224 2/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ TRPV4 Q9HBA0 2/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ TP53BP1 Q12888 1/20 0.42
▸ L3MBTL4 Q8NA19 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL1724710 0.86 CYP2D6 (0.46) L3MBTL3L3MBTL1TP53BP1L3MBTL4
SCHEMBL1719041 0.82 ACACB (0.43) L3MBTL3L3MBTL1ACACBACACAIRAK4
SCHEMBL1720532 0.81 CYP2C9 (0.49) L3MBTL3L3MBTL1ACACBACACAIRAK4
SCHEMBL1718938 0.81 L3MBTL3 (0.44) L3MBTL3L3MBTL1LMNAPOLBHPGD
SCHEMBL1719382 0.81 IRAK4 (0.45) L3MBTL3L3MBTL1LMNAPOLBHPGD
SCHEMBL1421384 0.81 GRIN2B (0.52) L3MBTL3L3MBTL1ACACBACACAHRH3
SCHEMBL1719974 0.80 TRPV4 (0.43) L3MBTL3L3MBTL1ACACBACACAHRH3
SCHEMBL1719832 0.79 L3MBTL3 (0.42) L3MBTL3L3MBTL1TP53BP1L3MBTL4
SCHEMBL29698741 0.79 ACACB (0.44) L3MBTL3L3MBTL1LMNAPOLBHPGD
SCHEMBL1719404 0.79 ACACB (0.44) L3MBTL3L3MBTL1LMNAPOLBHPGD

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 10 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 disclosed
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 L3MBTL3 3062/4885L3MBTL1 3575/4885LMNA 4708/4885

“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.