SCHEMBL2675696

SCHEMBL2675696

COC(=O)C1CSCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL4571091 1.00 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5493487 1.00 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2675695 0.98 KMT2A (0.40) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL5362921 0.98 KMT2A (0.40) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5224314 0.82
SCHEMBL3361966 0.82
SCHEMBL11122946 0.82
Hydrochloric Acid SCHEMBL201248 0.80 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL201249 0.80 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7350919 0.80 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118541030-A Protoporphyrinogen oxidase inhibitors 恩科化学公司 2024-08-23 CN disclosed
US-20230131253-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION WITH SUPPRESSED DEGENERATION OF CROSSLINKING AGENT NISSAN CHEMICAL CORPORATION (JP) 2023-04-27 US disclosed
US-20230131253-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION WITH SUPPRESSED DEGENERATION OF CROSSLINKING AGENT NISSAN CHEMICAL CORPORATION (JP) 2023-04-27 US disclosed
CN-107056730-B A kind of synthetic method and its application of bupropion hydrochloride sustained release tablets impurity isomers 浙江普洛家园药业有限公司 2019-05-24 CN disclosed
CN-107056730-A A kind of synthetic method of bupropion hydrochloride sustained release tablets impurity isomers and its application 浙江普洛家园药业有限公司 2017-08-18 CN disclosed
EP-2130825-B1 N-SUBSTITUTED THIOMORPHOLINE DERIVATIVES AS THE INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND THE PHARMACEUTICAL USES THEREOF BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO LTD (CN) 2014-08-06 EP disclosed
WO-2012139892-A1 SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
WO-2012139890-A1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
US-8173643-B2 N-substituted thiomorpholine derivatives as the inhibitors of dipeptidyl peptidase IV and the pharmaceutical uses thereof BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2012-05-08 US disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
CN-1550496-A Acetylenic alpha-amino acid-based sulfamide hydroxamic acid TACE inhibitors ���Ͽع����޹�˾ 2004-12-01 CN disclosed
US-6544987-B2 Pyrrolidine or piperidine sulfonyl compounds; stimulate neurite outgrowth in nerve cells leading to nerve regeneration for treatment of hair loss, memory loss or vision disorders PFIZER INC. 2003-04-08 US disclosed
EP-1237869-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2002-09-11 EP disclosed
US-20020061881-A1 Compounds, compositions, and methods for stimulating neuronal growth and elongation AGOURON PHARMACEUTICALS, INC. 2002-05-23 US disclosed
CN-1345308-A Acetylenic alpha-amino acid based sulfonamide hydroxamic acid TACE inhibitors AMERICAN CYANAMID CO (US) 2002-04-17 CN disclosed
WO-2001040185-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 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 (3 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 KMT2A 4370/4885CHRNB2 4772/4885CHRNA4 4743/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 KMT2A 4143/4885CHRNB2 4872/4885CHRNA4 4864/4885
US-20020061881-A1 Compounds, compositions, and methods for stimulating neuronal growth and elongation NGF, GAP43, BDNF KMT2A 3886/4885CHRNB2 31/4885CHRNA4 212/4885

“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.