SCHEMBL2215736

SCHEMBL2215736

COC(=O)C1CC(=O)N(c2ccc(F)cc2)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA4 P22748 2/20 0.68
CA6 P23280 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
CA13 Q8N1Q1 2/20 0.68
CA12 O43570 1/20 0.68
CA14 Q9ULX7 1/20 0.68
CA5B Q9Y2D0 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 2/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
TSHR P16473 2/20 0.61
TP53 P04637 1/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL3366012 0.92 ALDH1A1 (0.63) ALDH1A1CA1CA2CA4CA6
SCHEMBL3365099 0.92 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA6
SCHEMBL3365095 0.92 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA6
SCHEMBL3366008 0.92 ALDH1A1 (0.63) ALDH1A1CA1CA2CA4CA6
SCHEMBL3365102 0.92 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA6
SCHEMBL3366005 0.87 NPC1 (0.77) ALDH1A1CA1CA2CA4CA6
SCHEMBL3365348 0.87 NPC1 (0.77) ALDH1A1CA1CA2CA4CA6
SCHEMBL3365355 0.87 NPC1 (0.77) ALDH1A1CA1CA2CA4CA6
SCHEMBL3365627 0.87 ALDH1A1 (0.70) ALDH1A1CA1CA2CA4CA6
SCHEMBL19793283 0.87 MAPK1 (0.70) ALDH1A1CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073544-B PARP inhibitor pyrazolo-quinine derivative and synthesis method thereof 上海应用技术大学 2024-07-23 CN disclosed
CN-117756793-A 1,2, 4-heterodiazole derivatives and use thereof 四川大学 2024-03-26 CN disclosed
CN-115073544-A PARP inhibitor pyrazoloquinine derivative and synthesis method thereof 上海应用技术大学 2022-09-20 CN disclosed
EP-2212284-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2014-04-30 EP disclosed
EP-2212284-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2014-04-30 EP disclosed
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US disclosed
EP-2212284-A2 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2010-08-04 EP disclosed
WO-2009051718-A2 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2009-04-23 WO disclosed
WO-2009051718-A2 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2009-04-23 WO disclosed
EP-1000620-B1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBITORS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-12-07 EP disclosed
US-6166036-A Lp(a)-lowering agent and apolipoprotein (a) formation suppressing agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-1000620-A1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBTORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-05-17 EP 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-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, RYR1 ALDH1A1 3977/4885CA1 719/4885CA2 57/4885

“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.