SCHEMBL4900932

SCHEMBL4900932

C=CCNC1CCC(N)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
DPP7 Q9UHL4 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
RIPK2 O43353 1/20 0.30

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
SCHEMBL530785 0.88
SCHEMBL7735833 0.88 KMT2A (0.39) KMT2ADPP7SIGMAR1RIPK2
Cyclohexylamine SCHEMBL6863571 0.85 DPP7 (0.44) KMT2ADPP7
Cyclohexylamine SCHEMBL6866497 0.85 DPP7 (0.44) KMT2ADPP7
Cyclopentanamine SCHEMBL8692490 0.81 DPP7 (0.37) DPP7
SCHEMBL538845 0.78
SCHEMBL818299 0.78
SCHEMBL5863695 0.77 EPHX2 (0.38) KMT2ADPP7SIGMAR1
SCHEMBL5863700 0.77 EPHX2 (0.38) KMT2ADPP7SIGMAR1
SCHEMBL20651185 0.77 KMT2A (0.42) KMT2ADPP7SIGMAR1

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 KMT2A 4199/4885DPP7 3505/4885SIGMAR1 8/4885

“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.