SCHEMBL3153397

SCHEMBL3153397

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)NCc1ccc(N)nc1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.48
CTSD P07339 1/20 0.48
CTSE P14091 1/20 0.48
CA2 P00918 2/20 0.46
BACE1 P56817 2/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL3153410 1.00 REN (0.48) RENCTSDCTSECA2BACE1
SCHEMBL3153401 1.00 REN (0.48) RENCTSDCTSECA2BACE1
SCHEMBL1432429 0.93 CYP3A4 (0.42) RENCTSDCTSECA2BACE1
SCHEMBL1433327 0.87 TP53 (0.42) RENCTSDCTSE
SCHEMBL1432101 0.85 CA2 (0.46) RENCTSDCTSECA2BACE1
SCHEMBL1432085 0.85 MASP2 (0.44) RENCTSDCTSE
SCHEMBL3141449 0.83 REN (0.43) RENCTSDCTSECA2
SCHEMBL3141442 0.83 REN (0.43) RENCTSDCTSECA2
SCHEMBL3141428 0.83 REN (0.43) RENCTSDCTSECA2
SCHEMBL3141433 0.83 REN (0.43) RENCTSDCTSECA2

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 REN 1899/4885CTSD 2332/4885CTSE 3991/4885

“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.