SCHEMBL493344

SCHEMBL493344

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.45
SIGMAR1 Q99720 2/20 0.42
ADAMTS5 Q9UNA0 1/20 0.41
OPRM1 P35372 2/20 0.41
CNR2 P34972 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 2/20 0.39
BRD4 O60885 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL492965 0.90 L3MBTL1 (0.45) OPRL1OPRM1TSHRL3MBTL1HPGD
SCHEMBL493096 0.89 LMNA (0.45) SIGMAR1L3MBTL1HPGDATMLMNA
SCHEMBL1326636 0.88 SIGMAR1 (0.54) OPRL1SIGMAR1OPRM1CNR2PKM
SCHEMBL493377 0.83 NPSR1 (0.42) OPRL1SIGMAR1PKMTSHRMEN1
SCHEMBL493375 0.81 OPRL1 (0.36) OPRL1SIGMAR1OPRM1CNR2PKM
SCHEMBL492896 0.80 ATF4 (0.57) OPRL1MEN1KMT2AHPGDCYP3A4
SCHEMBL1328149 0.80 OPRL1 (0.49) OPRL1SIGMAR1OPRM1MEN1KMT2A
SCHEMBL1328192 0.80 LMNA (0.54) OPRL1SIGMAR1OPRM1CNR2PKM
SCHEMBL492553 0.79 PKM (0.47) PKMTSHRMEN1KMT2AATM
SCHEMBL1326310 0.79 OPRL1 (0.48) OPRL1OPRM1MEN1KMT2ACYP3A4

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD OPRL1 4/4885SIGMAR1 84/4885ADAMTS5 3716/4885

“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.