SCHEMBL4868037

SCHEMBL4868037

CC(C)(C)OC(=O)NC(CO)C(=O)NC1CCC(c2ccccc2)(N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SCN9A Q15858 8/20 0.42
CYP3A4 P08684 2/20 0.41
ACE P12821 1/20 0.40
CTSL P07711 1/20 0.40
SCN10A Q9Y5Y9 3/20 0.39

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
SCHEMBL4861889 0.91 HRH2 (0.45) HRH2HRH1L3MBTL1HDAC4HDAC1
SCHEMBL4864001 0.91 SCN9A (0.52) L3MBTL1SCN9ACYP3A4ACECTSL
SCHEMBL4871841 0.86 L3MBTL1 (0.47) HRH2HRH1L3MBTL1HDAC4HDAC1
SCHEMBL4867141 0.82 SCN9A (0.51) SCN9ACYP3A4ACECTSL
SCHEMBL4871937 0.79 SCN9A (0.52) L3MBTL1SCN9AACECTSL
SCHEMBL18460227 0.76 HDAC4 (0.68) HRH2HRH1L3MBTL1HDAC4HDAC1
SCHEMBL9718207 0.76 HDAC4 (0.68) HRH2HRH1L3MBTL1HDAC4HDAC1
SCHEMBL4873372 0.75 HDAC4 (0.44) HDAC4HDAC1HDAC6SCN9AACE
SCHEMBL25174673 0.75 HDAC4 (0.58) HRH2HRH1L3MBTL1HDAC4HDAC1
SCHEMBL29244834 0.75 HDAC4 (0.58) HRH2HRH1L3MBTL1HDAC4HDAC1

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 HRH2 181/4885HRH1 121/4885L3MBTL1 4705/4885

“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.