SCHEMBL6028295

SCHEMBL6028295

CC1(C)CC(=O)C2=C(C1)NC(COCCN)=C(C#N)C2c1cnco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.44
KDM4E B2RXH2 11/20 0.44
GAA P10253 10/20 0.44
HSD17B10 Q99714 8/20 0.44
HPGD P15428 6/20 0.44
CASP1 P29466 5/20 0.44
GLA P06280 4/20 0.44
CASP7 P55210 4/20 0.44
LMNA P02545 7/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 1/20 0.39
KLK7 P49862 1/20 0.39
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6029626 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL6461825 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL6028535 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL6029111 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL6028404 0.83 KDM4E (0.54) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL6028348 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL6028544 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL6028630 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL6027726 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL6027962 0.82 NPSR1 (0.46) ALDH1A1KDM4EGAAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 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-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SLC5A2, SLC5A1, QDPR ALDH1A1 416/4885KDM4E 2337/4885GAA 230/4885

“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.