SCHEMBL5452747

SCHEMBL5452747

Cc1cccc(CC2(N(C)C)CCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.41
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
CAPN1 P07384 2/20 0.39
CTSK P43235 6/20 0.39
CTSS P25774 1/20 0.38
ANPEP P15144 1/20 0.37
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36

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
SCHEMBL4868645 0.90 CTSK (0.49) CTSLCTSKCTSS
SCHEMBL5464445 0.85 CTSL (0.39) CTSLCAPN1CTSKANPEPCASP1
SCHEMBL16143769 0.83 ANPEP (0.46) CTSLCAPN1CTSKANPEP
SCHEMBL4871768 0.83 CTSK (0.49) CTSLCTSKCTSS
SCHEMBL4868827 0.83 CTSK (0.53) CTSLCTSKCTSS
SCHEMBL4867979 0.81 CTSK (0.48) CTSLCTSKCTSSANPEP
SCHEMBL4864014 0.81 CTSK (0.48) CTSLCTSKCTSS
SCHEMBL4865108 0.79 CTSK (0.49) CTSLCTSKCTSS
SCHEMBL4863202 0.79 CTSK (0.49) CTSLCTSKCTSS
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 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 CTSL 2008/4885SSTR1 2954/4885SSTR4 2688/4885

“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.