SCHEMBL1327992

SCHEMBL1327992

CN(C)C(c1cccs1)C1CCC(CCNC(=O)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
MCHR1 Q99705 3/20 0.39
CHRM4 P08173 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRM1 P11229 1/20 0.37
THRB P10828 1/20 0.37
DPP4 P27487 3/20 0.36
KCNH2 Q12809 3/20 0.36
DPP7 Q9UHL4 3/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL1327528 0.90 TP53 (0.45) NPC1RAB9AL3MBTL1TP53MAPT
SCHEMBL1328185 0.87 NPC1 (0.42) NPC1RAB9AL3MBTL1LMNATP53
SCHEMBL1326658 0.86 TP53 (0.48) NPC1RAB9AL3MBTL1LMNATP53
SCHEMBL1327726 0.85 KDM4E (0.46) NPC1RAB9AL3MBTL1LMNACHRM4
SCHEMBL1328189 0.85 CHRM4 (0.42) MCHR1CHRM4ITGB3ITGA2BADRA2A
SCHEMBL1327676 0.83 CHRM4 (0.42) NPC1RAB9AL3MBTL1MAPTCHRM4
SCHEMBL1328075 0.83 NPC1 (0.40) NPC1RAB9AL3MBTL1LMNACHRM4
SCHEMBL1326625 0.82 MCHR1 (0.41) MCHR1CHRM4ADRA2AADRA1AHRH1
SCHEMBL1326769 0.80 NPC1 (0.47) NPC1RAB9AL3MBTL1CHRM4ALDH1A1
SCHEMBL1326846 0.79 NPC1 (0.43) NPC1RAB9AL3MBTL1LMNAMEN1

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-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R NPC1 112/4885RAB9A 905/4885L3MBTL1 4461/4885

“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.