SCHEMBL25656172

SCHEMBL25656172

CCC(=O)N1CCCN(c2c(C#N)cnc3cc(C)c(C)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 9/20 0.58
LRRK2 Q5S007 4/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM4 P08173 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL25656171 0.91 ENPP1 (0.59) ENPP1LRRK2ALDH1A1KDM4EKMT2A
SCHEMBL25656176 0.89 ENPP1 (0.58) ENPP1LRRK2ALDH1A1KDM4EKMT2A
SCHEMBL25656173 0.85 ENPP1 (0.80) ENPP1LRRK2ALDH1A1KDM4EKMT2A
SCHEMBL25656018 0.84 ENPP1 (0.59) ENPP1LRRK2ALDH1A1KDM4EKMT2A
SCHEMBL25656178 0.84 ENPP1 (0.68) ENPP1LRRK2ALDH1A1KDM4ECHRM4
SCHEMBL25656175 0.82 ENPP1 (0.53) ENPP1LRRK2ALDH1A1KDM4EKMT2A
SCHEMBL25656104 0.81 LRRK2 (0.57) ENPP1LRRK2ALDH1A1KDM4ECHRM4
SCHEMBL23762323 0.79 ENPP1 (0.77) ENPP1SMN1; SMN2MAPT
SCHEMBL25656101 0.78 LRRK2 (0.53) ENPP1LRRK2ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL30080072 0.78 ENPP1 (0.75) ENPP1SMN1; SMN2MAPT

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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 ENPP1 1/4885LRRK2 3715/4885ALDH1A1 2287/4885

“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.