SCHEMBL493561

SCHEMBL493561

CN(C)C(CCc1ccccc1)C1CCC(NC(=O)CCN)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 9/20 0.48
EPHX2 P34913 2/20 0.48
EPHX1 P07099 1/20 0.47
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL492991 0.92 EPHX2 (0.43) SMYD3EPHX2EPHX1OPRM1OPRL1
SCHEMBL493559 0.89 EPHX2 (0.43) EPHX2EPHX1OPRM1OPRL1SIGMAR1
SCHEMBL493829 0.86 L3MBTL1 (0.43) EPHX2EPHX1OPRM1OPRL1SIGMAR1
SCHEMBL492989 0.85 RAB9A (0.43) EPHX2EPHX1OPRM1OPRL1
SCHEMBL493719 0.79 ATF4 (0.60)
SCHEMBL1328539 0.79 MCHR1 (0.54) OPRM1SIGMAR1
SCHEMBL493819 0.79 SMYD3 (0.52) SMYD3
SCHEMBL493440 0.78 TSHR (0.48)
SCHEMBL1327350 0.78 KMT2A (0.47)
SCHEMBL1327976 0.78 ALDH1A1 (0.43) SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 SMYD3 3808/4885EPHX2 2567/4885EPHX1 2483/4885

“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.