SCHEMBL7887451

SCHEMBL7887451

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(F)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.55
CACNA1F O60840 2/20 0.52
CACNA1D Q01668 2/20 0.52
CACNA1S Q13698 2/20 0.52
CACNA1C Q13936 2/20 0.52
KDM4E B2RXH2 9/20 0.50
HSD17B10 Q99714 7/20 0.50
ALDH1A1 P00352 5/20 0.50
TSHR P16473 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP2C9 P11712 4/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 3/20 0.50
HIF1A Q16665 3/20 0.50
ADORA3 P0DMS8 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GMNN O75496 2/20 0.50
ABCB11 O95342 2/20 0.50

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
SCHEMBL7882944 0.89 NR1I2 (0.55) NR1I2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL29676427 0.82 NR1I2 (0.65) NR1I2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2615091 0.82 NR1I2 (0.65) NR1I2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2615090 0.82 NR1I2 (0.65) NR1I2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10730517 0.82 MAPT (0.59) NR1I2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6945482 0.81 CACNA1B (0.48) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL3323322 0.81 KDM4E (0.59) KDM4EHSD17B10ALDH1A1TSHRCYP2C9
SCHEMBL7887456 0.80 NR1I2 (0.49) NR1I2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7264460 0.80 ADORA3 (0.67) CACNA1CKDM4EALDH1A1TSHRKMT2A
SCHEMBL7879285 0.79 CACNA1F (0.76) NR1I2CACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NR1I2 846/4885CACNA1F 335/4885CACNA1D 330/4885
US-20110118299-A1 TREATMENT OF MCI AND ALZHEIMER'S DISEASE PSEN1, CHAT, CHRM1 NR1I2 414/4885CACNA1F 399/4885CACNA1D 165/4885

“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.