SCHEMBL6177568

SCHEMBL6177568

CCN(CC)C(=O)C=Cc1cc(N)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL6177561 1.00 NPC1 (0.48) NPC1L3MBTL1TRPM8ALDH1A1TDP1
SCHEMBL5578152 0.81 BCHE (0.53) NPC1L3MBTL1ALDH1A1PTGS2MAOA
SCHEMBL4678281 0.77 TTR (0.47) L3MBTL1ALDH1A1MAOAMAOBMEN1
SCHEMBL4678277 0.77 TTR (0.47) L3MBTL1ALDH1A1MAOAMAOBMEN1
SCHEMBL9385750 0.77 NPSR1 (0.50) ALDH1A1MAPTITGB2ICAM1ITGAL
SCHEMBL9385744 0.77 NPSR1 (0.50) ALDH1A1MAPTITGB2ICAM1ITGAL
SCHEMBL6094686 0.76 APP (0.43) NPC1L3MBTL1TRPM8ALDH1A1ACHE
SCHEMBL6094687 0.76 APP (0.43) NPC1L3MBTL1TRPM8ALDH1A1ACHE
Hydrochloric Acid SCHEMBL6096272 0.75 ACHE (0.43) NPC1L3MBTL1TRPM8ALDH1A1ACHE
Hydrochloric Acid SCHEMBL6096274 0.75 ACHE (0.43) NPC1L3MBTL1TRPM8ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399137-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-14 — — EP disclosed
US-6849635-B2 Sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2005-02-01 — — US disclosed
US-20040152893-A1 Sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-08-05 — — US disclosed
EP-1399137-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-03-24 — — EP disclosed
WO-2002089785-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 — — 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-20040152893-A1 Sulfonamides UTS2R, PRSS2, STS NPC1 3410/4885L3MBTL1 4850/4885TRPM8 451/4885

“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.

Send feedback