SCHEMBL4394154

SCHEMBL4394154

COC(=O)c1ccc(OC)c(CC#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
HIF1A Q16665 1/20 0.50
KMT2A Q03164 3/20 0.48
ELANE P08246 1/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.45
ATM Q13315 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL30454091 1.00 MAPT (0.53) MAPTHIF1AKMT2AELANEMEN1
SCHEMBL6955701 0.88 MAPT (0.53) MAPTHIF1AKMT2AELANEMEN1
SCHEMBL6818070 0.86 CA12 (0.57) MAPTKMT2AELANEMEN1ALDH1A1
SCHEMBL335266 0.86 ALDH1A1 (0.61) MAPTKMT2AMEN1ALDH1A1
SCHEMBL23705054 0.83 CA1 (0.45) MAPTKMT2AMEN1ALDH1A1ATM
SCHEMBL17811353 0.83 ALDH1A1 (0.51) MAPTKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL17067577 0.82 MAPT (0.60) MAPTHIF1AKMT2AMEN1ALDH1A1
SCHEMBL31401179 0.82 CA12 (0.44) MAPTKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL2192295 0.82 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL31395805 0.82 CA1 (0.44) MAPTKMT2AMEN1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253404-B Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof 上海医药集团股份有限公司 2023-05-23 CN disclosed
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 US disclosed
EP-3889156-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2021-10-06 EP disclosed
CN-111253404-A Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof 上海医药集团股份有限公司 2020-06-09 CN disclosed
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I MAPT 1830/4885HIF1A 4218/4885KMT2A 3482/4885
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 MAPT 4194/4885HIF1A 1810/4885KMT2A 3961/4885

“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.