SCHEMBL6461825

SCHEMBL6461825

CC1(C)CC(=O)C2=C(C1)NC(COCCN)=C(C#N)C2c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.55
HSD17B10 Q99714 7/20 0.55
MAPT P10636 6/20 0.55
LMNA P02545 5/20 0.55
NPSR1 Q6W5P4 4/20 0.55
GAA P10253 11/20 0.54
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GLA P06280 5/20 0.53
TP53 P04637 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
KDM4E B2RXH2 13/20 0.51
HPGD P15428 5/20 0.43
CASP1 P29466 4/20 0.42
CASP7 P55210 3/20 0.42
HTT P42858 4/20 0.41
KLK7 P49862 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX15 P16050 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
SCHEMBL6028295 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTLMNANPSR1
SCHEMBL6029117 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10MAPTLMNANPSR1
SCHEMBL6029111 0.84 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTLMNANPSR1
SCHEMBL5809520 0.82 GSK3B (0.48) ALDH1A1HSD17B10MAPTLMNANPSR1
SCHEMBL6029604 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTLMNANPSR1
SCHEMBL6028404 0.81 KDM4E (0.54) ALDH1A1HSD17B10MAPTLMNANPSR1
SCHEMBL6460768 0.81 KDM4E (0.62) ALDH1A1HSD17B10MAPTLMNANPSR1
SCHEMBL6029626 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTLMNANPSR1
SCHEMBL6029281 0.80 ALDH1A1 (0.69) ALDH1A1HSD17B10MAPTLMNANPSR1
SCHEMBL6028471 0.80 KDM4E (0.47) ALDH1A1HSD17B10MAPTLMNANPSR1

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-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US 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 416/4885HSD17B10 447/4885MAPT 2294/4885

“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.