SCHEMBL5483040

SCHEMBL5483040

CC(NC(=O)OCc1ccccc1)C(=O)N(Cc1ccccc1Cl)C1CCC(N(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
CTSL P07711 3/20 0.49
CTSB P07858 3/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 3/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP1A2 P05177 1/20 0.43
CCR1 P32246 2/20 0.42
GHSR Q92847 1/20 0.42
PREP P48147 2/20 0.42
CYP3A4 P08684 2/20 0.41
TSHR P16473 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
SCHEMBL10790451 0.76 CTSK (0.54) MEN1KMT2ALMNACTSLCTSB
SCHEMBL10658214 0.75 CTSK (0.53) MEN1KMT2ALMNACTSLCTSB
SCHEMBL10487578 0.75 CTSK (0.53) MEN1KMT2ALMNACTSLCTSB
SCHEMBL6726309 0.74 MEN1 (0.51) MEN1KMT2ALMNACTSLCTSB
SCHEMBL6311475 0.73 CTSK (0.70) MEN1KMT2ALMNACTSLCTSB
SCHEMBL5192015 0.73 CTSK (0.70) MEN1KMT2ALMNACTSLCTSB
SCHEMBL6782182 0.73 CTSK (0.70) MEN1KMT2ALMNACTSLCTSB
SCHEMBL10795035 0.73 CTSK (0.50) MEN1KMT2ALMNACTSLCTSB
SCHEMBL79894 0.72 SLC6A4 (0.47) MEN1KMT2ALMNASLC6A2SLC6A4
SCHEMBL11130209 0.72 CTSK (0.49) MEN1KMT2ALMNACTSLCTSB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 713/4885KMT2A 3604/4885LMNA 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.