SCHEMBL4046960

SCHEMBL4046960

CN(C)C1(Cc2cccc(Cl)c2)CCC(C(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
HSD11B1 P28845 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
AMPD2 Q01433 1/20 0.41
NPC1 O15118 1/20 0.40
PYCR1 P32322 1/20 0.40
EPHX2 P34913 1/20 0.40
AOC3 Q16853 1/20 0.40
VCP P55072 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.39
IDO1 P14902 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5572217 0.86 SSTR4 (0.45) SSTR1SSTR4POLBAMPD2NPC1
SCHEMBL5290991 0.85 KMT2A (0.43) ALDH1A1NPC1VCPMEN1KMT2A
SCHEMBL4047848 0.84 GAA (0.45) SSTR1SSTR4ALDH1A1POLBAMPD2
SCHEMBL4055242 0.84 OPRL1 (0.50) ALDH1A1POLBNPC1KDM4EMEN1
SCHEMBL208130 0.83 AOC3 (0.44) SSTR1SSTR4HSD11B1TP53PYCR1
SCHEMBL13504118 0.81 TAAR1 (0.44) SSTR1SSTR4HSD11B1TP53PYCR1
SCHEMBL4867855 0.78 LMNA (0.48) HSD11B1ALDH1A1AMPD2NPC1AOC3
SCHEMBL13503749 0.78 PNMT (0.42) SSTR1SSTR4HSD11B1TP53ALDH1A1
SCHEMBL4048457 0.78 SMN1; SMN2 (0.41) ALDH1A1NPC1KDM4EIDO1
SCHEMBL5572918 0.76 ATM (0.43) ALDH1A1POLBNPC1KDM4EMEN1

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
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US disclosed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US disclosed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 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 (2 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-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 SSTR1 3798/4885SSTR4 3575/4885HSD11B1 689/4885
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC SSTR1 2404/4885SSTR4 2130/4885HSD11B1 1062/4885

“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.