SCHEMBL493318

SCHEMBL493318

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
MAOA P21397 1/20 0.43
KMT2A Q03164 1/20 0.43
SMYD3 Q9H7B4 1/20 0.41
TSHR P16473 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL493819 0.91 SMYD3 (0.52) CYP3A4HPGDCYP2C19RAB9AMAOA
SCHEMBL493817 0.89 CYP3A4 (0.46) CYP3A4HPGDCYP2C19RAB9AMAOA
SCHEMBL1326524 0.85 HPGD (0.45) CYP3A4HPGDCYP2C19RAB9AMAOA
SCHEMBL28810401 0.84 TSHR (0.48) CYP3A4HPGDCYP2C19RAB9AKMT2A
SCHEMBL493316 0.83 TSHR (0.42) CYP3A4HPGDCYP2C19RAB9AMAOA
Cyclohexane SCHEMBL2304945 0.83 TSHR (0.50) CYP3A4HPGDCYP2C19RAB9AKMT2A
Cyclopentane SCHEMBL2306640 0.83 TSHR (0.50) CYP3A4HPGDCYP2C19RAB9AKMT2A
SCHEMBL1326686 0.82 LMNA (0.61) KMT2AOPRM1OPRL1EPHX2LMNA
SCHEMBL2308758 0.82 TSHR (0.47) CYP3A4HPGDCYP2C19RAB9ATSHR
SCHEMBL2307354 0.82 MEN1 (0.52) RAB9AKMT2ASMYD3SMN1; SMN2LMNA

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 CYP3A4 465/4885HPGD 213/4885CYP2C19 134/4885

“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.