SCHEMBL1328526

SCHEMBL1328526

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.48
ADRA2A P08913 3/20 0.48
HTR2B P41595 3/20 0.48
HRH1 P35367 2/20 0.48
DPP4 P27487 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
SSTR3 P32745 2/20 0.43
GRM5 P41594 1/20 0.43
UTS2R Q9UKP6 1/20 0.42

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
SCHEMBL1327948 0.93 TAS1R3 (0.48) MCHR1ADRA2AHTR2BHRH1DPP4
SCHEMBL1327152 0.89 ADRA2A (0.54) MCHR1ADRA2AHTR2BHRH1DPP4
SCHEMBL1326528 0.89 NPC1 (0.56) MCHR1ADRA2AHTR2BHRH1KDM4E
SCHEMBL2310236 0.89 ADRA2A (0.46) MCHR1ADRA2AHTR2BHRH1DPP4
SCHEMBL1327192 0.82 HTR2B (0.48) MCHR1ADRA2AHTR2BKDM4EMEN1
SCHEMBL27751619 0.82 HPGD (0.51) MEN1MAPTKMT2AHPGDNPC1
SCHEMBL1327179 0.82 TAS1R3 (0.46) MCHR1ADRA2ADPP4DPP7MEN1
SCHEMBL1327913 0.79 HPGD (0.46) MCHR1HTR2BDPP4DPP7HPGD
SCHEMBL644813 0.78 L3MBTL1 (0.41) MEN1POLBKMT2AHPGDRAB9A
SCHEMBL644812 0.77 L3MBTL1 (0.43) KDM4EMEN1POLBMAPTKMT2A

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 MCHR1 429/4885ADRA2A 70/4885HTR2B 220/4885

“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.