SCHEMBL6175752

SCHEMBL6175752

CCN(CC)C(=O)CCc1cc(N)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRKCI P41743 1/20 0.41
ACHE P22303 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 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
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 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
SCHEMBL6157993 0.76 L3MBTL1 (0.43) LMNAHSP90AA1ALDH1A1HSD17B10EPHX2
SCHEMBL12156547 0.74 TRPM8 (0.49) RAB9ALMNAHSD17B10APPHDAC3
SCHEMBL3786681 0.73 CYP3A4 (0.48) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL282088 0.73 CYP3A4 (0.52) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL23465360 0.72 NR1H4 (0.38) TSHRHPGDCHRM2CHRM3MAOA
SCHEMBL13985330 0.72 CYP4F2 (0.52) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL15067349 0.72 PRKCI (0.67) TSHRHPGDPRKCIACHECHRM2
SCHEMBL16942492 0.72 HSP90AA1 (0.47) TSHRHPGDCHRM2CHRM3MAOA
SCHEMBL6175929 0.71 PRKCI (0.47) TSHRPRKCIACHECHRM2CHRM3
SCHEMBL3787128 0.71 CYP3A4 (0.45) TSHRHPGDSMN1; SMN2PRKCIACHE

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 6 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US 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 (2 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE TSHR 2730/4885NPC1 1326/4885HPGD 261/4885
US-20040152893-A1 Sulfonamides UTS2R, PRSS2, STS TSHR 1754/4885NPC1 3410/4885HPGD 1890/4885

“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.