SCHEMBL1328150

SCHEMBL1328150

CN(C)C(c1ccc(Cl)cc1)C1CCC(CNC(=O)CC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
BCL2A1 Q16548 1/20 0.39
CNR1 P21554 3/20 0.39
KCNH2 Q12809 3/20 0.36
CACNA1I Q9P0X4 3/20 0.36
FDFT1 P37268 1/20 0.36
LMNA P02545 1/20 0.35
BACE1 P56817 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL1328444 0.89 HPGD (0.45) KCNH2CACNA1IKMT2ACNR2
SCHEMBL1328313 0.89 OPRK1 (0.43) SMN1; SMN2TSHR
SCHEMBL1327796 0.81 OPRL1 (0.43)
SCHEMBL2308011 0.81 CNR2 (0.50) NPC1RAB9ASMN1; SMN2CNR1LMNA
SCHEMBL2305785 0.79 POLB (0.49) NPC1RAB9ASMN1; SMN2MEN1TSHR
SCHEMBL1326645 0.79 CNR1 (0.49) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL1327714 0.78 MEN1 (0.41) NPC1RAB9ASMN1; SMN2CNR1KCNH2
SCHEMBL1326835 0.78 P2RX7 (0.52) NPC1RAB9ACNR1CNR2
SCHEMBL1326568 0.77 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL1328325 0.76 ALDH1A1 (0.46) NPC1SMN1; SMN2CNR1LMNAMEN1

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 8 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
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN 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
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN 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 905/4885SMN1; SMN2 1867/4885

“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.