SCHEMBL4864032

SCHEMBL4864032

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)CCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.44
EPHX1 P07099 3/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
CCR2 P41597 3/20 0.39
SSTR1 P30872 1/20 0.37
SSTR4 P31391 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
SCHEMBL4869393 0.91 EPHX1 (0.42) EPHX1MEN1KMT2AHPGD
SCHEMBL4867891 0.83 KMT2A (0.41) EPHX1MEN1KMT2ASSTR4
SCHEMBL206987 0.81 POLB (0.56) EPHX1LMNAMEN1KMT2AGAA
SCHEMBL4867137 0.81 KMT2A (0.48) EPHX1MEN1KMT2A
SCHEMBL4871968 0.79 AVPR1A (0.44)
SCHEMBL2989386 0.79 LMNA (0.45) EPHX1LMNAGAAHPGDPOLB
SCHEMBL206154 0.79 TSHR (0.46) LMNAMEN1KMT2AGAAHPGD
SCHEMBL208300 0.78 LMNA (0.50) EPHX1LMNAMEN1KMT2APOLB
SCHEMBL4861830 0.78 SUV39H2 (0.43)
SCHEMBL4084038 0.77 MAPT (0.40) EPHX1LMNAKMT2AGAAHPGD

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 DRD2 2201/4885EPHX1 935/4885LMNA 1995/4885

“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.