SCHEMBL3145539

SCHEMBL3145539

CC(C)(C)OC(=O)NC(CC1CCCC2CCCC[C@@H]21)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ AAK1 Q2M2I8 2/20 0.39
▸ CACNA1B Q00975 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PSMB10 P40306 2/20 0.38
▸ PSMB2 P49721 2/20 0.38
▸ MASP2 O00187 3/20 0.38
▸ REN P00797 3/20 0.37
▸ FURIN P09958 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
SCHEMBL3145528 1.00 CTSS (0.41) CTSSCTSKAAK1CACNA1BCYP3A4
SCHEMBL3141442 0.91 REN (0.43) REN
SCHEMBL3141428 0.91 REN (0.43) REN
SCHEMBL3141449 0.91 REN (0.43) REN
SCHEMBL3141433 0.91 REN (0.43) REN
SCHEMBL3148239 0.86 MASP2 (0.43) PSMB10PSMB2MASP2FURIN
SCHEMBL1903263 0.86 MASP2 (0.40) PSMB10PSMB2MASP2FURIN
SCHEMBL1432229 0.86 MASP2 (0.43) PSMB10PSMB2MASP2FURIN
SCHEMBL1907930 0.86 MASP2 (0.41) PSMB10PSMB2MASP2FURIN
SCHEMBL1432232 0.86 MASP2 (0.43) PSMB10PSMB2MASP2FURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 CTSS 3171/4885CTSK 2782/4885AAK1 1436/4885

“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.

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