SCHEMBL6436896

SCHEMBL6436896

COCC(=O)N1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3cn2)[C@H](N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.43
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATF4 P18848 1/20 0.34
USP30 Q70CQ3 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
MCHR1 Q99705 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL6362596 0.88 F10 (0.43) F10CPT2CPT1ACPT1BEPHX2
SCHEMBL14817815 0.85 F10 (0.46) F10EPHX2SMN1; SMN2L3MBTL1MCHR1
SCHEMBL4265640 0.83 F10 (0.47) F10EPHX2SMN1; SMN2L3MBTL1USP30
SCHEMBL4265643 0.83 F10 (0.47) F10EPHX2SMN1; SMN2L3MBTL1USP30
SCHEMBL2944327 0.82 F10 (0.61) F10
SCHEMBL2935606 0.82 F10 (0.61) F10
SCHEMBL6361887 0.78 F10 (0.39) F10EPHX2SMN1; SMN2L3MBTL1USP30
SCHEMBL6362439 0.77 EPHX2 (0.40) F10EPHX2SMN1; SMN2L3MBTL1ATF4
SCHEMBL1253959 0.77 F10 (0.73) F10
SCHEMBL1253957 0.77 F10 (0.73) F10

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-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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-20050119486-A1 Diamine derivatives C9, C1S, C1R F10 196/4885CPT2 2184/4885CPT1A 485/4885

“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.