SCHEMBL2305482

SCHEMBL2305482

Cc1cccc(C(=O)NC2CCC(C(CCc3ccccc3)N(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
OPRK1 P41145 1/20 0.51
MCHR1 Q99705 3/20 0.49
ADRA2A P08913 2/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP2C19 P33261 1/20 0.47
SMYD3 Q9H7B4 2/20 0.47
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK14 Q16539 1/20 0.46
DRD4 P21917 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL1326600 0.89 CRHR1 (0.53) NPC1RAB9AMCHR1ADRA2ASMYD3
SCHEMBL1327905 0.89 KMT2A (0.56) NPC1RAB9AMCHR1ADRA2AALDH1A1
SCHEMBL1328539 0.83 MCHR1 (0.54) NPC1RAB9AMCHR1ADRA2AALDH1A1
SCHEMBL1328183 0.81 TAS1R3 (0.58) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL492991 0.78 EPHX2 (0.43) ALDH1A1SMYD3HTT
SCHEMBL492989 0.78 RAB9A (0.43) NPC1RAB9AALDH1A1HTTL3MBTL1
SCHEMBL1327976 0.78 ALDH1A1 (0.43) MCHR1ADRA2AALDH1A1GAALMNA
SCHEMBL493559 0.78 EPHX2 (0.43) ALDH1A1HTT
SCHEMBL493561 0.78 SMYD3 (0.48) SMYD3
SCHEMBL11806 0.77 NPC1 (0.85) CTDSP1TDP1NPC1RAB9AMCHR1

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
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
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 CTDSP1 962/4885TDP1 3817/4885NPC1 112/4885

“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.