SCHEMBL2958326

SCHEMBL2958326

O=C1CCN(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
SLC18A3 Q16572 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.37
DRD2 P14416 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NSD2 O96028 1/20 0.37
PABPC1 P11940 1/20 0.37
HTT P42858 1/20 0.36

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
Hydrochloric Acid SCHEMBL28907031 0.98 KMT2A (0.45) KMT2AALDH1A1KDM4EMEN1CYP3A4
Ethylene SCHEMBL20239646 0.95 KMT2A (0.43) KMT2AALDH1A1KDM4EMEN1CYP3A4
SCHEMBL119860 0.86 HRH3 (0.41) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL28999586 0.86
SCHEMBL8110294 0.86 HRH3 (0.41) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL120015 0.84 PNMT (0.41) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
Iodide SCHEMBL7417352 0.84 HRH3 (0.40) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL8114067 0.84 PNMT (0.41) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL6941412 0.82 PNMT (0.43) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL8109596 0.82 PNMT (0.43) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2

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
WO-2024032530-A1 AROMATIC HETEROCYCLIC CYCLOHEXYL AMINOALKYL PIPERIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 江苏恩华药业股份有限公司 2024-02-15 WO disclosed
WO-2023208171-A1 PLPRO PROTEIN INHIBITOR, AND PREPARATION METHOD AND APPLICATION THEREOF 清华大学 2023-11-02 WO disclosed
CN-107108656-B N- substitution -3,5- disubstituted benzenes Carbox amide and its preparation method and application 中国科学院上海药物研究所 2019-11-05 CN disclosed
CN-107108656-A N replaces 3,5 disubstituted benzenes Carbox amides and its preparation method and application 中国科学院上海药物研究所 2017-08-29 CN disclosed
WO-2016112863-A1 N-SUBSTITUTED-3,5-DISUBSTITUTED BENZAMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海药物研究所 2016-07-21 WO disclosed
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 EP disclosed
EP-2261233-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261234-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261232-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261235-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
CN-101389630-A Protein kinase inhibitors ABBOTT LAB (US) 2009-03-18 CN disclosed
EP-2011800-A2 Inhibitors of caspase Vertex Pharmaceuticals Incorporated (US) 2009-01-07 EP disclosed
EP-1064298-B1 INHIBITORS OF CASPASES VERTEX PHARMA (US) 2008-10-08 EP disclosed
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 EP disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 US disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 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 (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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 KMT2A 2353/4885ALDH1A1 4453/4885KDM4E 2606/4885

“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.