SCHEMBL31377801

SCHEMBL31377801

CC(C)C/C(N)=C/C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.34
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
CYP2C19 P33261 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
GABRR1 P24046 2/20 0.31
SLC7A5 Q01650 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GRIK1 P39086 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL31377686 1.00 ALDH1A1 (0.42) ALDH1A1TDP1CA2POLBCACNA2D1
SCHEMBL5458858 0.83 ALDH1A1 (0.40) ALDH1A1TDP1CA2CACNA2D1CACNB3
SCHEMBL5458863 0.83 ALDH1A1 (0.40) ALDH1A1TDP1CA2CACNA2D1CACNB3
SCHEMBL4107010 0.78 HCAR2 (0.37) ALDH1A1TDP1CA2SMN1; SMN2MMP1
SCHEMBL4107012 0.78 HCAR2 (0.37) ALDH1A1TDP1CA2SMN1; SMN2MMP1
SCHEMBL10768705 0.76 ALDH1A1 (0.39) ALDH1A1TDP1CA2POLB
SCHEMBL10769558 0.76 ALDH1A1 (0.39) ALDH1A1TDP1CA2POLB
SCHEMBL10951521 0.75 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL10951520 0.75 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL9363963 0.75 GRIK1 (0.43) ALDH1A1TDP1CA2CACNA2D1CACNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743174-A1 MODULATORS OF CALCITONIN RECEPTOR AND/OR AMYLIN RECEPTOR ACTIVITY Aconcagua Bio, Inc. (US) 2026-05-20 EP disclosed
US-20250042916-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ACONCAGUA BIO, INC. 2025-02-06 US disclosed
WO-2025015268-A1 MODULATORS OF CALCITONIN RECEPTOR AND/OR AMYLIN RECEPTOR ACTIVITY ACONCAGUA BIO, INC. (US) 2025-01-16 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-20250042916-A1 COMPOUNDS, COMPOSITIONS, AND METHODS IAPP, GIPR, GPR119 ALDH1A1 4111/4885TDP1 2600/4885CA2 1083/4885

“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.