SCHEMBL4867137

SCHEMBL4867137

CN(C)C1(CCc2ccccc2)CCC(NC(=O)CCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
OPRM1 P35372 4/20 0.46
OPRL1 P41146 4/20 0.46
KCNA3 P22001 1/20 0.42
EPHX1 P07099 2/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40

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
SCHEMBL5160129 0.87 OPRM1 (0.51) KMT2AMEN1OPRM1OPRL1KCNA3
SCHEMBL4869393 0.82 EPHX1 (0.42) KMT2AMEN1OPRM1OPRL1EPHX1
SCHEMBL4867891 0.81 KMT2A (0.41) KMT2AMEN1SIGMAR1OPRM1OPRL1
SCHEMBL4864032 0.81 DRD2 (0.44) KMT2AMEN1EPHX1
SCHEMBL4053293 0.79 KMT2A (0.50) KMT2ASIGMAR1OPRM1OPRL1KCNA3
SCHEMBL2981366 0.78 EPHX2 (0.50) KMT2AMEN1OPRM1OPRL1EPHX1
SCHEMBL17591720 0.78 KMT2A (0.69) KMT2AMEN1SIGMAR1EPHX1L3MBTL1
SCHEMBL8693601 0.75 EPHX1 (0.64) KMT2AMEN1EPHX1EPHX2
SCHEMBL25048413 0.74 CA1 (0.60) SIGMAR1L3MBTL1IDO1
SCHEMBL16095344 0.74 KMT2A (0.60) KMT2AMEN1SIGMAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439394-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2008-10-21 US claimed
US-20070117803-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-24 US claimed
EP-1751090-B1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES GRUENENTHAL GMBH (DE) 2014-10-08 EP disclosed
US-7439394-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2008-10-21 US disclosed
US-20070117803-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-24 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-20070117803-A1 Cyclohexyl-1,4-diamine compounds PKD1, DDC, DPYD KMT2A 3604/4885MEN1 713/4885SIGMAR1 3262/4885

“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.