SCHEMBL21913856

SCHEMBL21913856

CC(C)NC(CCCCNC(=O)CCC(NC(C)C)C(=O)C(C)C)C(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ CASP2 P42575 1/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ ALB P02768 3/20 0.38
▸ NAAA Q02083 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GLP1R P43220 8/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ MMP12 P39900 2/20 0.35
▸ MMP14 P50281 2/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL23944184 0.96 ALDH1A1 (0.40) ALDH1A1CASP2FOLH1ALBNAAA
SCHEMBL14952664 0.94 ALDH1A1 (0.41) ALDH1A1CASP2FOLH1ALBNAAA
SCHEMBL16409459 0.91 CASP2 (0.51) ALDH1A1CASP2ALBNAAAMEN1
SCHEMBL16231545 0.90 FOLH1 (0.42) ALDH1A1CASP2FOLH1ALBNAAA
SCHEMBL20729996 0.90 ALB (0.38) ALDH1A1CASP2FOLH1ALBNAAA
SCHEMBL13461485 0.90 CASP2 (0.54) CASP2NAAAMEN1KMT2AMMP2
SCHEMBL25129545 0.90 ALDH1A1 (0.37) ALDH1A1CASP2FOLH1ALBNAAA
SCHEMBL16248536 0.90 NAMPT (0.40) ALDH1A1CASP2ALBNAAAMEN1
SCHEMBL25132500 0.88 ALB (0.37) ALDH1A1CASP2FOLH1ALBNAAA
SCHEMBL25132901 0.88 ALB (0.37) ALDH1A1CASP2FOLH1ALBNAAA

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-11130782-B2 Nicotinic acetylcholine receptor peptide antagonist conotoxin compositions and related methods GLO PHARMA, INC. 2021-09-28 — — US disclosed
US-20200115414-A1 NICOTINIC ACETYLCHOLINE RECEPTOR PEPTIDE ANTAGONIST CONOTOXIN COMPOSITIONS AND RELATED METHODS GLO PHARMA, INC. 2020-04-16 — — 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 (2 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-20200115414-A1 NICOTINIC ACETYLCHOLINE RECEPTOR PEPTIDE ANTAGONIST CONOTOXIN COMPOSITIONS AND RELATED METHODS CHRNA1, CHRNG, CHRNB1 ALDH1A1 4818/4885CASP2 4826/4885FOLH1 3047/4885
US-11130782-B2 Nicotinic acetylcholine receptor peptide antagonist conotoxin compositions and related methods CHRNA1, CHRNG, CHRNB1 ALDH1A1 4818/4885CASP2 4826/4885FOLH1 3047/4885

“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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