SCHEMBL7991882

SCHEMBL7991882

Cc1ccc(CNCCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.64
PDCD1 Q15116 2/20 0.61
CD274 Q9NZQ7 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47

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
SCHEMBL1625535 0.89 SMN1; SMN2 (0.64) CHRM2PDCD1CD274SMN1; SMN2ALDH1A1
SCHEMBL7964319 0.88 CHRM2 (0.71) CHRM2PDCD1CD274SMN1; SMN2CA12
SCHEMBL4919923 0.86 CHRM2 (0.75) CHRM2SMN1; SMN2ALDH1A1CA12CA1
SCHEMBL4913672 0.84 CHRM2 (0.79) CHRM2CA12CA1CA2CA9
SCHEMBL5032223 0.84 CHRM2 (0.79) CHRM2CA12CA1CA2CA9
SCHEMBL4917450 0.84 CHRM2 (0.79) CHRM2CA12CA1CA2CA9
SCHEMBL8252697 0.83 L3MBTL1 (0.56) CHRM2PDCD1CD274SMN1; SMN2ALDH1A1
SCHEMBL13853400 0.82 CHRM2 (0.57) CHRM2SMN1; SMN2ALDH1A1CA12CA1
SCHEMBL842161 0.81 CHRM2 (0.67) CHRM2SMN1; SMN2ALDH1A1CA12CA1
SCHEMBL11881942 0.80 CA1 (0.69) CHRM2ALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-01-29 US disclosed
EP-2837624-B1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2018-06-27 EP disclosed
US-9676736-B2 4-substituent-2-hydroxylmorpholine-3-one and preparation method thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 US disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
US-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2015-03-26 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
EP-2837624-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2015-02-18 EP disclosed
WO-2014086927-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 WO disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-6288224-B1 Preparation of n-arylmethyl aziridine derivatives, 1,4,7,10-tetraazacyclododecane derivatives obtained therefrom and n-arylethyl-ethanolamine sulphonate esters as intermediates NYCOMED SALUTAR, INC. 2001-09-11 US disclosed
US-6048979-A CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES NYCOMED SALUTAR, INC. (US) 2000-04-11 US disclosed
CN-1181751-A Prepn. of N-arylmethyl axiridine derivatives, 1, 4, 7, 10 -Tetraazacyclododecane derivatives obtained therefrom and N -arylmethyl -ethanol -amine sulphonate esters as intermediates NYCOMED SALUTAR INC (US) 1998-05-13 CN disclosed
EP-0813523-A2 PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES NYCOMED SALUTAR, INC. (US) 1997-12-29 EP disclosed
WO-1996028420-A2 PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES NYCOMED SALUTAR, INC. (US) 1996-09-19 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 (5 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CHRM2 4864/4885PDCD1 1450/4885CD274 581/4885
US-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF OPRK1, HTR3C, HTR3A CHRM2 246/4885PDCD1 1047/4885CD274 445/4885
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions AZI2, ABL1, DHPS CHRM2 4638/4885PDCD1 962/4885CD274 2348/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC CHRM2 2310/4885PDCD1 2448/4885CD274 3877/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CHRM2 680/4885PDCD1 4584/4885CD274 4566/4885

“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.