SCHEMBL18056091

SCHEMBL18056091

CN[C@@H](CCCCN)C(=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.43
▸ ITGA2B P08514 3/20 0.43
▸ CPB2 Q96IY4 5/20 0.43
▸ CTSB P07858 5/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSH P09668 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSF Q9UBX1 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
SCHEMBL24177609 0.84 SIGMAR1 (0.41) ITGB3ITGA2B
SCHEMBL23085465 0.78 NAAA (0.38) —
SCHEMBL24860034 0.77 NAAA (0.40) ITGB3ITGA2BCPB2
SCHEMBL20414838 0.77 SLC6A5 (0.57) —
SCHEMBL21031588 0.77 DPP7 (0.50) ITGB3ITGA2B
SCHEMBL15095584 0.77 CPB2 (0.65) CPB2
SCHEMBL13227701 0.76 TPSAB1 (0.42) CPB2CTSBCTSSCTSHCTSK
SCHEMBL29866337 0.76 GSR (0.44) ITGB3ITGA2BCPB2
SCHEMBL22986172 0.74 EPHX1 (0.40) —
SCHEMBL9716618 0.74 CPB2 (0.55) CPB2CTSBCTSSCTSHCTSK

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-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-09-01 — — 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-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 ITGB3 358/4885ITGA2B 329/4885CPB2 2220/4885

“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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