SCHEMBL248887

SCHEMBL248887

C1CCC(NC2CCCCC2)CC1.CN(C(=O)OCc1ccccc1)[C@@H](CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ABCB1 P08183 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CTSL P07711 3/20 0.42
CTSK P43235 3/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1B Q00975 4/20 0.39

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
SCHEMBL28813126 1.00 ITGB3 (0.46) ITGB3ITGA2BABCB1ALDH1A1CTSL
SCHEMBL2729968 0.88 ABCB1 (0.50) ITGB3ITGA2BABCB1ALDH1A1CTSL
SCHEMBL27810816 0.88 ABCB1 (0.50) ITGB3ITGA2BABCB1ALDH1A1CTSL
SCHEMBL29398294 0.84 ITGB3 (0.46) ITGB3ITGA2BHTR2CSLC6A4KMT2A
SCHEMBL6927349 0.84 ITGB3 (0.46) ITGB3ITGA2BHTR2CSLC6A4KMT2A
SCHEMBL2868358 0.81 CACNA1B (0.39) ITGB3ITGA2BABCB1CTSLCTSK
SCHEMBL31456183 0.81 ITGB3 (0.46) ITGB3ITGA2BABCB1ALDH1A1CTSL
SCHEMBL29398786 0.80 CACNA1B (0.50) ITGB3ITGA2BALDH1A1CTSLCTSK
SCHEMBL24733700 0.80 ABCB1 (0.49) ITGB3ITGA2BABCB1ALDH1A1CTSL
SCHEMBL23879129 0.80 ABCB1 (0.49) ITGB3ITGA2BABCB1ALDH1A1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4678652-A1 METHOD FOR PRODUCING CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2026-01-14 EP disclosed
WO-2024219480-A1 METHOD FOR PRODUCING CYCLIC PEPTIDE COMPOUND 中外製薬株式会社 2024-10-24 WO disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ITGB3 538/4885ITGA2B 657/4885ABCB1 1608/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ITGB3 538/4885ITGA2B 657/4885ABCB1 1608/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ITGB3 538/4885ITGA2B 657/4885ABCB1 1608/4885

“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.