SCHEMBL493099

SCHEMBL493099

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
AVPR1A P37288 1/20 0.34
AVPR1B P47901 1/20 0.34

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
SCHEMBL493106 0.94 NPC1 (0.36) NPC1RAB9ANCOA1NCOA3ALDH1A1
SCHEMBL493307 0.93 LMNA (0.42) NPC1LMNATSHRNPSR1RAB9A
SCHEMBL492855 0.93 NPC1 (0.39) NPC1LMNATSHRNPSR1RAB9A
SCHEMBL493984 0.90 NPC1 (0.54) NPC1LMNATSHRNPSR1RAB9A
SCHEMBL493505 0.89 LMNA (0.42) NPC1LMNATSHRNPSR1KMT2A
SCHEMBL492624 0.88 NPC1 (0.44) NPC1LMNATSHRNPSR1RAB9A
SCHEMBL492691 0.88 NPC1 (0.51) NPC1LMNATSHRNPSR1RAB9A
SCHEMBL492942 0.87 L3MBTL1 (0.41) NPC1RAB9ANCOA1NCOA3ALDH1A1
SCHEMBL493088 0.87 OXTR (0.37) NPC1LMNATSHRNPSR1RAB9A
SCHEMBL493197 0.87 RAB9A (0.39) NPC1RAB9AALDH1A1HPGDAVPR1A

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD NPC1 519/4885LMNA 2485/4885TSHR 4051/4885

“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.