Sugi Predict

Sugi Predict / Compounds / SCHEMBL3645986

SCHEMBL3645986

SCHEMBL3645986

Cc1ccc(CCN(C(=O)C(N)c2ccccc2)c2cccc(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GHSR Q92847 3/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ CCR5 P51681 2/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ GLI1 P08151 1/20 0.37
▸ GLI2 P10070 1/20 0.37

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
SCHEMBL3646622 0.92 PTGIR (0.41) ALDH1A1HTTRAB9ASMN1; SMN2GHSR
SCHEMBL3641635 0.86 TACR1 (0.42) CYP3A4NOS1CYP2C19NOS2
SCHEMBL3644467 0.84 TP53 (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1GLI1
SCHEMBL3645474 0.84 RAB9A (0.36) RAB9AGLI1GLI2TDP1
SCHEMBL8089328 0.83 GLI1 (0.40) GLI1GLI2
SCHEMBL3645758 0.83 AOC3 (0.41) TRPM8ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3645753 0.83 AOC3 (0.41) TRPM8ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3650041 0.83 PTGIR (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1GLI1
Hydrochloric Acid SCHEMBL4143968 0.82 AOC3 (0.41) TRPM8ALDH1A1RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4143962 0.82 AOC3 (0.41) TRPM8ALDH1A1RAB9ASMN1; SMN2NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801918-A Monoamide derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2010-08-11 — — CN disclosed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 — — EP disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US 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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A TRPM8 385/4885ALDH1A1 1565/4885HTT 890/4885

“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.