SCHEMBL4858702

SCHEMBL4858702

CN(C)C1(c2ccccc2)CCC(N(OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=S)NCCCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.52
OPRL1 P41146 14/20 0.52
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNA3 P22001 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL4851156 0.87 OPRL1 (0.49) OPRM1OPRL1MEN1KMT2A
SCHEMBL4858626 0.84 OPRL1 (0.51) OPRM1OPRL1LMNACYP1A2MEN1
Citric Acid SCHEMBL4861869 0.81 OPRM1 (0.68) OPRM1OPRL1KDM4ELMNACYP1A2
SCHEMBL4858534 0.73 OPRL1 (0.51) OPRM1OPRL1LMNACYP1A2MEN1
SCHEMBL4856663 0.72 OPRL1 (0.50) OPRM1OPRL1LMNACYP1A2MEN1
SCHEMBL4861071 0.72 OPRM1 (0.67) OPRM1OPRL1
SCHEMBL5339483 0.72 OPRL1 (0.48) OPRM1OPRL1
SCHEMBL2379652 0.71 OPRM1 (0.69) OPRM1OPRL1MEN1KMT2APOLB
Citric Acid SCHEMBL5339484 0.71 OPRL1 (0.48) OPRM1OPRL1KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL302167 0.71 OPRM1 (0.70) OPRM1OPRL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 US claimed
US-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures GRUENENTHAL GMBH (DE) 2005-11-24 US claimed
US-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures GRUENENTHAL GMBH (DE) 2005-11-24 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-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures OPRL1, OPRM1, OGFRL1 OPRM1 2/4885OPRL1 1/4885KDM4E 4587/4885

“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.