SCHEMBL7879285

SCHEMBL7879285

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 3/20 0.76
CACNA1D Q01668 3/20 0.76
CACNA1S Q13698 3/20 0.76
CACNA1C Q13936 3/20 0.76
TSHR P16473 4/20 0.68
KDM4E B2RXH2 6/20 0.67
ALDH1A1 P00352 5/20 0.67
HSD17B10 Q99714 4/20 0.67
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 1/20 0.67
HPGD P15428 3/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ADORA3 P0DMS8 2/20 0.61
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL9272854 0.94 CACNA1F (0.69) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL7436006 0.87 TSHR (0.72) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL28735860 0.86 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL16137718 0.85 TSHR (0.70) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL7881093 0.85 ALDH1A1 (0.72) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL9261647 0.85 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL3029762 0.84 KDM4E (0.76) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL8949694 0.84 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL9269230 0.84 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL11817128 0.84 KDM4E (0.76) CACNA1FCACNA1DCACNA1SCACNA1CTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516774-A Preparation method of chiral bromo-1, 4-dihydropyridine compound 中国科学院成都生物研究所 2022-05-20 CN disclosed
US-9968574-B2 Treatment of MCI and Alzheimer's disease THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2018-05-15 US disclosed
WO-2011142778-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-17 WO disclosed
US-20110118299-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-05-19 US disclosed
WO-2010132671-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-11-18 WO disclosed
US-20100292281-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-11-18 US disclosed
US-20100292281-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-11-18 US disclosed
US-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 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-20100292281-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE CHAT, CHRM2, TPO CACNA1F 335/4885CACNA1D 330/4885CACNA1S 175/4885
US-20110118299-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE PSEN1, CHAT, CHRM1 CACNA1F 399/4885CACNA1D 165/4885CACNA1S 167/4885

“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.