SCHEMBL4861833

SCHEMBL4861833

CC(NC(=O)OCc1ccccc1)C(=O)NC1CCC(Cc2ccc(Cl)cc2)(N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 2/20 0.46
CCR1 P32246 2/20 0.45
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
CTSK P43235 6/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
TSHR P16473 4/20 0.42
EPHX1 P07099 1/20 0.42
CYP3A4 P08684 3/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4868448 0.94 CYP1A2 (0.50) MEN1LMNAKMT2ACYP1A2ALDH1A1
SCHEMBL4863435 0.92 CYP1A2 (0.46) MEN1LMNAKMT2ACYP1A2ALDH1A1
SCHEMBL4871703 0.91 CYP1A2 (0.44) MEN1LMNAKMT2ACYP1A2CCR1
SCHEMBL4865149 0.88 ALDH1A1 (0.45) MEN1LMNAKMT2ACYP1A2ALDH1A1
SCHEMBL4861760 0.86 CYP1A2 (0.45) MEN1LMNAKMT2ACYP1A2ALDH1A1
SCHEMBL4864984 0.86 CYP1A2 (0.44) MEN1LMNAKMT2ACYP1A2ALDH1A1
SCHEMBL4868422 0.85 CYP1A2 (0.48) MEN1LMNAKMT2ACYP1A2ALDH1A1
SCHEMBL4865497 0.85 CYP1A2 (0.48) MEN1LMNAKMT2ACYP1A2ALDH1A1
SCHEMBL4863202 0.84 CTSK (0.49) ALDH1A1CTSKCTSLCTSBCTSS
SCHEMBL2976914 0.80 TSHR (0.49) ALDH1A1TSHRMAPT

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
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
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 MEN1 713/4885LMNA 1995/4885KMT2A 3604/4885

“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.