SCHEMBL1327484

SCHEMBL1327484

CN(C)C(c1ccccc1)C1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.47
SMYD3 Q9H7B4 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KCNK9 Q9NPC2 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
DRD4 P21917 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
BTK Q06187 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SSTR5 P35346 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2307354 0.90 MEN1 (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL1327103 0.89 MEN1 (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1326521 0.88 NPC1 (0.53) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1327152 0.82 ADRA2A (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1327131 0.81 MEN1 (0.56) MEN1KMT2ANPC1SMN1; SMN2LMNA
SCHEMBL1326528 0.81 NPC1 (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28810401 0.80 TSHR (0.48) KMT2ARAB9ATSHRDRD2DRD3
SCHEMBL1328534 0.80 CRHR1 (0.45) MEN1KMT2A
SCHEMBL1327554 0.80 ADRA2A (0.54) KMT2ARAB9ANPC1SMN1; SMN2SMYD3
SCHEMBL1327436 0.80 L3MBTL1 (0.58) MEN1KMT2ARAB9ANPC1L3MBTL1

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 11 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
JP-2009520720-A 2009-05-28 JP claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO 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
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R MEN1 1779/4885KMT2A 2886/4885RAB9A 905/4885

“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.