SCHEMBL492965

SCHEMBL492965

CN(C)C(c1ccccc1)C1CCC(NC(=O)COCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.43
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
EPHX2 P34913 1/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 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
SCHEMBL493096 0.93 LMNA (0.45) L3MBTL1ATMHPGDALDH1A1GAA
SCHEMBL493344 0.90 OPRL1 (0.45) L3MBTL1ATMCYP3A4HPGDOPRM1
SCHEMBL492970 0.83 CHRM4 (0.42) ATMOPRM1EPHX2SMN1; SMN2
SCHEMBL493829 0.83 L3MBTL1 (0.43) L3MBTL1ATMALDH1A1GAAOPRM1
SCHEMBL493819 0.82 SMYD3 (0.52) CYP3A4HPGDCYP2C19RAB9A
SCHEMBL493318 0.81 CYP3A4 (0.47) L3MBTL1CYP3A4HPGDCYP2C19RAB9A
SCHEMBL493051 0.80 NPSR1 (0.41) L3MBTL1ALDH1A1SLC6A4SMN1; SMN2LMNA
SCHEMBL493817 0.80 CYP3A4 (0.46) L3MBTL1CYP3A4HPGDCYP2C19RAB9A
SCHEMBL493526 0.80 CCR5 (0.43) CYP3A4HPGDCYP2C19RAB9AALDH1A1
SCHEMBL492264 0.80 ATF4 (0.65) HPGDRAB9AALDH1A1SMN1; SMN2POLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
JP-2009520720-A 2009-05-28 JP claimed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO claimed
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
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-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 (2 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD L3MBTL1 4753/4885ATM 1904/4885CYP3A4 465/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R L3MBTL1 4461/4885ATM 3332/4885CYP3A4 19/4885

“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.