SCHEMBL2986952

SCHEMBL2986952

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)CCCOc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
ATF4 P18848 1/20 0.44
RAB9A P51151 2/20 0.43
CNR2 P34972 2/20 0.43
CNR1 P21554 2/20 0.43
CCR2 P41597 2/20 0.42
HDAC1 Q13547 1/20 0.42
NPC1 O15118 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 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
SCHEMBL2987110 0.93 MEN1 (0.51) MEN1KMT2ARAB9ACNR2CNR1
SCHEMBL2987816 0.90 MEN1 (0.47) MEN1KMT2ALMNARAB9ACNR2
SCHEMBL5155945 0.85 ATF4 (0.42) MEN1KMT2ALMNAATF4RAB9A
SCHEMBL4054992 0.85 CCR2 (0.59) MEN1KMT2ALMNACCR2SIGMAR1
SCHEMBL2987483 0.85 ATF4 (0.61) MEN1KMT2ALMNAATF4RAB9A
SCHEMBL2985703 0.85 MEN1 (0.59) MEN1KMT2ARAB9ACNR2CNR1
SCHEMBL2976675 0.84 MCHR1 (0.54) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL2989386 0.84 LMNA (0.45) LMNAATF4CCR2
SCHEMBL2978761 0.83 ATF4 (0.65) MEN1KMT2ALMNAATF4
SCHEMBL2985188 0.83 MEN1 (0.50) MEN1KMT2ARAB9ACNR2CNR1

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-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US claimed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US claimed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 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-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 MEN1 318/4885KMT2A 3786/4885LMNA 1459/4885

“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.