SCHEMBL2981366

SCHEMBL2981366

CN(C)C1(CCc2ccccc2)CCC(NC(=O)CCCOc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX1 P07099 1/20 0.49
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
RAB9A P51151 1/20 0.45

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 0.89 MEN1 (0.51) EPHX2TAAR1CNR1CNR2MEN1
SCHEMBL2985780 0.83 MCHR1 (0.53) EPHX2MEN1KMT2A
SCHEMBL2985703 0.83 MEN1 (0.59) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL2986952 0.83 MEN1 (0.47) CNR1CNR2MEN1KMT2AOPRM1
SCHEMBL2987816 0.83 MEN1 (0.47) CNR1CNR2MEN1KMT2AOPRM1
SCHEMBL4053293 0.82 KMT2A (0.50) EPHX2KMT2AEPHX1OPRM1OPRL1
SCHEMBL5160129 0.82 OPRM1 (0.51) EPHX2MEN1KMT2AEPHX1OPRM1
SCHEMBL2972824 0.82 ATF4 (0.59) MEN1KMT2A
SCHEMBL2985188 0.82 MEN1 (0.50) CNR1CNR2MEN1KMT2AOPRM1
SCHEMBL2974572 0.81 OPRM1 (0.64) CNR1CNR2MEN1KMT2AOPRM1

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 EPHX2 1094/4885TAAR1 1843/4885CNR1 406/4885

“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.