SCHEMBL4852117

SCHEMBL4852117

O=C(NCCc1c[nH]c2ccc(F)cc12)Oc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.74
TRPV1 Q8NER1 3/20 0.67
NOTUM Q6P988 2/20 0.65
MTNR1A P48039 1/20 0.65
MTNR1B P49286 1/20 0.65
SPR P35270 1/20 0.62
LTA4H P09960 1/20 0.60
PLA2G2A P14555 1/20 0.60

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
SCHEMBL892369 0.86 FAAH (0.74) FAAHTRPV1MTNR1AMTNR1B
SCHEMBL4856104 0.86 FAAH (1.00) FAAHTRPV1
SCHEMBL8802151 0.84 TRPM8 (0.66) FAAHTRPV1NOTUMMTNR1AMTNR1B
SCHEMBL20242784 0.83 NOTUM (0.78) TRPV1NOTUMMTNR1AMTNR1BSPR
SCHEMBL23925476 0.81 MAPT (0.76) TRPV1NOTUMMTNR1AMTNR1BSPR
SCHEMBL8194888 0.81 NOTUM (0.70) TRPV1NOTUMMTNR1AMTNR1BSPR
SCHEMBL8802739 0.80 NOTUM (0.65) TRPV1NOTUMMTNR1AMTNR1BSPR
SCHEMBL14077525 0.80 NOTUM (0.72) TRPV1NOTUMMTNR1AMTNR1BSPR
SCHEMBL4512654 0.79 MTNR1A (1.00) NOTUMMTNR1AMTNR1BSPR
SCHEMBL9936146 0.79 CDK4 (0.78) TRPV1NOTUMMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FAAH 893/4885TRPV1 69/4885NOTUM 892/4885

“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.