SCHEMBL4871244

SCHEMBL4871244

Cc1cccc(CC2(N(C)C)CCC(NC(=O)C(CO)NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
RAB9A P51151 1/20 0.40
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
SCN9A Q15858 4/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL4865061 0.91 SCN9A (0.49) SCN9ACTSBCTSSCTSK
SCHEMBL4868324 0.90 CTSL (0.48) HRH2HRH1RAB9ASSTR1SSTR4
SCHEMBL4865092 0.89 HRH2 (0.44) HRH2HRH1RAB9ASCN9AHDAC4
SCHEMBL4871968 0.85 AVPR1A (0.44) HRH2HRH1RAB9AHDAC4HDAC1
SCHEMBL4868278 0.83 SCN9A (0.53) SCN9ACTSBCTSSCTSK
SCHEMBL4861770 0.82 SCN9A (0.50) SCN9ACTSBCTSSCTSK
SCHEMBL4873124 0.82 CTSS (0.55) SCN9ACTSBCTSSCTSK
SCHEMBL4867960 0.78 SCN9A (0.49) SCN9ACTSBCTSSCTSK
SCHEMBL4868460 0.78 AVPR1A (0.50) SCN9ACTSBCTSSCTSK
SCHEMBL2989023 0.77 SSTR4 (0.44) SSTR1SSTR4

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 7 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
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 HRH2 181/4885HRH1 121/4885RAB9A 587/4885

“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.