Sugi Predict

Sugi Predict / Compounds / SCHEMBL1720458

SCHEMBL1720458

SCHEMBL1720458

CCCCCCc1cccc(-c2nc(CCCOCc3ccc(F)cc3)c(C(=O)N3CCC(N4CCCC4)CC3)n2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 1/20 0.37
▸ AVPR1A P37288 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ AXL P30530 2/20 0.34
▸ MERTK Q12866 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ L3MBTL3 Q96JM7 2/20 0.34
▸ ACACB O00763 2/20 0.34
▸ ACACA Q13085 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CHRM2 P08172 3/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL1719477 0.89 IKBKB (0.39) L3MBTL1TDP1AXLMERTKCYP2C9
SCHEMBL1720087 0.87 ACACB (0.41) L3MBTL1TDP1CYP2C9L3MBTL3ACACB
SCHEMBL12672991 0.86 L3MBTL3 (0.38) AVPR2AVPR1AL3MBTL1TDP1AXL
SCHEMBL1719250 0.86 L3MBTL3 (0.41) L3MBTL1TDP1CYP2C9L3MBTL3ACACB
SCHEMBL1720426 0.85 L3MBTL1 (0.41) AVPR2AVPR1AL3MBTL1KDM4EMEN1
SCHEMBL10207105 0.85 L3MBTL3 (0.40) L3MBTL1TDP1CYP2C9L3MBTL3ACACB
SCHEMBL27942993 0.82 L3MBTL3 (0.42) AVPR2AVPR1AL3MBTL1MEN1ALDH1A1
SCHEMBL1719045 0.81 L3MBTL3 (0.41) L3MBTL1TDP1CYP2C9L3MBTL3ACACB
SCHEMBL1891032 0.81 L3MBTL3 (0.40) L3MBTL1TDP1CYP2C9L3MBTL3ACACB
SCHEMBL1719966 0.80 CYP2C9 (0.44) L3MBTL1TDP1CYP2C9L3MBTL3ACACB

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 AVPR2 294/4885AVPR1A 466/4885L3MBTL1 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.