SCHEMBL4296465

SCHEMBL4296465

COC(=O)C1CCCN1C(=O)Cc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
EPHX2 P34913 1/20 0.50
DPP4 P27487 1/20 0.50
PKM P14618 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FKBP1A P62942 2/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL7475648 0.88 HPGD (0.58) HPGDGAASMN1; SMN2MAPTALDH1A1
SCHEMBL3504947 0.88 HPGD (0.58) HPGDGAASMN1; SMN2MAPTALDH1A1
SCHEMBL9372814 0.88 HPGD (0.58) HPGDGAASMN1; SMN2MAPTALDH1A1
SCHEMBL21883044 0.87 ALDH1A1 (0.62) HPGDSMN1; SMN2MAPTALDH1A1FKBP1A
SCHEMBL6639156 0.87 ACE (0.59) HPGDALDH1A1FKBP1ALTA4H
SCHEMBL10509005 0.87 ACE (0.59) HPGDALDH1A1FKBP1ALTA4H
SCHEMBL30600066 0.81 DPP4 (0.45) HPGDSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8828176 0.81 KDM4E (0.55) GAAALDH1A1LMNAHSD17B10FKBP1A
SCHEMBL18767537 0.80 ALDH1A1 (0.57) HPGDGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL23747793 0.78 PKM (0.58) SMN1; SMN2MAPTALDH1A1RAB9ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10369120-B2 T type calcium channel inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2019-08-06 US disclosed
US-20160136115-A1 T TYPE CALCIUM CHANNEL INHIBITORS UNIVERSITY OF VIRGINIA 2016-05-19 US disclosed
US-9212127-B2 T type calcium channel inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-15 US disclosed
US-20120264804-A1 T TYPE CALCIUM CHANNEL BLOCKERS AND THE TREATMENT OF DISEASES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-18 US disclosed
US-20090234019-A1 T Type Calcium Channel Inhibitors UNIVERSITY OF VIRGINIA 2009-09-17 US disclosed
US-20080194669-A1 T Type Calcium Channel Blockers and the Treatment of Diseases UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-08-14 US disclosed
US-6946475-B1 Phenyl substituted pyrrole and pyridine compounds as nontoxic antiproliferative agents. UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-09-20 US disclosed
EP-1165508-B1 ANTICANCER CALCIUM CHANNEL BLOCKERS THE UNIVERSITY OF VIRGINIA PAT (US) 2004-06-23 EP disclosed
EP-1165508-A1 ANTICANCER CALCIUM CHANNEL BLOCKERS Gray, Lloyd S. (US) 2002-01-02 EP disclosed
WO-2000059882-A9 ANTICANCER CALCIUM CHANNEL BLOCKERS GRAY LLOYD S (US) 2001-11-29 WO disclosed
WO-2000059882-A1 ANTICANCER CALCIUM CHANNEL BLOCKERS GRAY LLOYD S (US) 2000-10-12 WO 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 (5 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-20120264804-A1 T TYPE CALCIUM CHANNEL BLOCKERS AND THE TREATMENT OF DISEASES CACNA1H, CACNA1G, CACNA1I HPGD 2015/4885GAA 811/4885SMN1; SMN2 567/4885
US-20080194669-A1 T Type Calcium Channel Blockers and the Treatment of Diseases CACNA1I, CACNA1H, CACNA1G HPGD 1256/4885GAA 1943/4885SMN1; SMN2 1896/4885
US-20090234019-A1 T Type Calcium Channel Inhibitors CACNA1H, CACNA1I, CACNA1G HPGD 2317/4885GAA 3183/4885SMN1; SMN2 1194/4885
US-10369120-B2 T type calcium channel inhibitors CACNA1H, CACNA1I, CACNA1G HPGD 2317/4885GAA 3183/4885SMN1; SMN2 1194/4885
US-20160136115-A1 T TYPE CALCIUM CHANNEL INHIBITORS CACNA1H, CACNA1I, CACNA1G HPGD 2317/4885GAA 3183/4885SMN1; SMN2 1194/4885

“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.