SCHEMBL4869393

SCHEMBL4869393

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCNC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ SUV39H2 Q9H5I1 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35

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
SCHEMBL4864032 0.91 DRD2 (0.44) EPHX1KMT2AMEN1HPGD
SCHEMBL5162372 0.87 RAB9A (0.43) KMT2AMEN1RAB9ASMN1; SMN2HPGD
SCHEMBL4867891 0.84 KMT2A (0.41) EPHX1KMT2AMEN1OPRM1OPRL1
SCHEMBL207622 0.82 HRH3 (0.45) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL4075032 0.82 HPGD (0.40) KMT2AMEN1RAB9ASMN1; SMN2HPGD
SCHEMBL4867137 0.82 KMT2A (0.48) EPHX1KMT2AMEN1OPRM1OPRL1
SCHEMBL206456 0.81 POLB (0.45) KMT2ARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL206832 0.81 EPHX2 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL206704 0.80 SMYD3 (0.39) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL2983415 0.80 MEN1 (0.45) KMT2AMEN1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751090-B1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES GRUENENTHAL GMBH (DE) 2014-10-08 — — EP claimed
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-A1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES Grünenthal GmbH (DE) 2007-02-14 — — EP claimed
WO-2005110973-A1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES Grünenthal GmbH (DE) 2005-11-24 — — WO 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
EP-1751090-A1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES Grünenthal GmbH (DE) 2007-02-14 — — EP disclosed
WO-2005110973-A1 ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES Grünenthal GmbH (DE) 2005-11-24 — — WO 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 EPHX1 935/4885KMT2A 3604/4885MEN1 713/4885

“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.

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