SCHEMBL3300228

SCHEMBL3300228

CS(=O)(=O)N1CCC(C=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.35
KDM1A O60341 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL1299646 0.87 TP53 (0.39) TP53NPSR1SMN1; SMN2TSHRALDH1A1
SCHEMBL1565868 0.86 NPSR1 (0.40) TP53NPSR1SMN1; SMN2TSHRALDH1A1
SCHEMBL18000528 0.82 TP53 (0.46) TP53NPSR1SMN1; SMN2TSHRALDH1A1
SCHEMBL4756855 0.77 EPHX2 (0.40) EPHX2
SCHEMBL1773952 0.75 TP53 (0.52) TP53NPSR1SMN1; SMN2TSHRALDH1A1
SCHEMBL1299600 0.75 TSHR (0.45) TSHRALDH1A1KDM4EPOLBCYP2C19
SCHEMBL28780703 0.74 TP53 (0.47) TP53NPSR1SMN1; SMN2TSHRALDH1A1
SCHEMBL12634 0.73 KDM4E (0.53) TP53NPSR1SMN1; SMN2TSHRALDH1A1
SCHEMBL14761384 0.73 TP53 (0.50) TP53NPSR1SMN1; SMN2TSHRALDH1A1
SCHEMBL3699219 0.72 TP53 (0.42) TP53NPSR1SMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240189287-A1 PERIPHERALLY RESTRICTED CB1 RECEPTOR BLOCKERS AND USES THEREOF BIONANOSIM (BNS) LTD (IL) 2024-06-13 US disclosed
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 CN disclosed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US disclosed
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP disclosed
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-12 US disclosed
CN-108558622-A A kind of preparation method and products thereof of novel 5- allyls cyclopentenone 南京林业大学 2018-09-21 CN disclosed
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 US disclosed
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists BROTHERTON-PLEISS CHRISTINE E (US) 2004-05-13 US disclosed
CN-1143848-C 2-arylethyl- (piperidin-4-ylmethyl) amine derivatives as muscarinic receptor antagonists - 2004-03-31 CN disclosed
US-6627644-B2 Muscarinic receptor antagonists and parasympathetic nervous system. The physiological actions of Acetylcholine are mediated by activation of either nicotinic or muscarinic receptors SYNTEX (U.S.A.) LLC 2003-09-30 US disclosed
US-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) LLC, NAME CHANGED TO ROCHE PALO ALTO LLC 2003-08-28 US disclosed
WO-2003048124-A1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO disclosed
US-6319920-B1 MUSCARINIC RECEPTOR ANTAGONIST USED IN GASTROINTESTINAL, GENITOURINARY TRACT, RESPIRATORY TRACT, CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM DISORDERS AND IN ANESTHESIOLOGY AND OPHTHALMOLOGY SYNTEX (U.S.A.) LLC 2001-11-20 US disclosed
CN-1295563-A 2-arylethyl- (piperidin-4-ylmethyl) amine derivatives as muscarinic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-16 CN disclosed
EP-1058680-A1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-12-13 EP disclosed
WO-1999043657-A1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1999-09-02 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 (7 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-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM1, CHRM3, CHRM2 TP53 3343/4885NPSR1 32/4885SMN1; SMN2 3859/4885
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT TP53 4673/4885NPSR1 3264/4885SMN1; SMN2 4700/4885
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT TP53 4673/4885NPSR1 3264/4885SMN1; SMN2 4700/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 TP53 3343/4885NPSR1 32/4885SMN1; SMN2 3859/4885
US-20240189287-A1 PERIPHERALLY RESTRICTED CB1 RECEPTOR BLOCKERS AND USES THEREOF CNR1, CNR2, GPR18 TP53 4880/4885NPSR1 19/4885SMN1; SMN2 2041/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT TP53 4673/4885NPSR1 3264/4885SMN1; SMN2 4700/4885
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases CCR5, CXCR5, CCR2 TP53 4415/4885NPSR1 139/4885SMN1; SMN2 2265/4885

“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.