SCHEMBL14971128

SCHEMBL14971128

COc1ccc(CNCCO)c(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.75
HTR2A P28223 2/20 0.62
HTR2C P28335 2/20 0.62
PDCD1 Q15116 2/20 0.55
CD274 Q9NZQ7 2/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL29580030 1.00 APLNR (0.75) APLNRHTR2AHTR2CPDCD1CD274
SCHEMBL2883792 0.91 APLNR (0.71) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL7768853 0.90 APLNR (0.86) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL20558263 0.89 APLNR (0.69) APLNRHTR2AHTR2CTSHR
SCHEMBL2551631 0.88 APLNR (0.67) APLNRHTR2AHTR2CTSHR
SCHEMBL28318209 0.87 APLNR (0.80) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL783785 0.86 APLNR (1.00) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL18256578 0.85 APLNR (0.77) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL31114343 0.84 APLNR (0.75) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL7002432 0.83 APLNR (0.73) APLNRHTR2AHTR2CHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472734-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X Discovery Limited (GB) 2024-12-11 EP disclosed
EP-3559007-B1 SULFONAMIDE COMPOUNDS HAVING TNAP INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2023-08-16 EP disclosed
WO-2023148501-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-08-10 WO disclosed
CN-110167946-B Sulfonamide compounds having TNAP inhibitory activity 第一三共株式会社 2022-04-08 CN disclosed
WO-2021147986-A1 CEPHALOSPORIN ANTIBACTERIAL COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF 上海森辉医药有限公司 2021-07-29 WO disclosed
US-11046710-B2 Sulfonamide compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-29 US disclosed
US-11014939-B2 2021-05-25 US disclosed
US-20200087321-A1 SULFONAMIDE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-03-19 US disclosed
EP-3559007-A1 SULFONAMIDE COMPOUNDS HAVING TNAP INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-10-30 EP disclosed
CN-107207527-B Pyridooxazinone compounds as TNAP inhibitors 第一三共株式会社 2019-10-01 CN disclosed
US-9920068-B2 Pyridine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-20 US disclosed
US-9879032-B2 Pyridine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-01-30 US disclosed
CN-107207527-A Pyridooxazinone compounds as TNAP inhibitors 第三共株式会社 2017-09-26 CN disclosed
US-20170240562-A1 PYRIDINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-24 US disclosed
US-20170210755-A1 PYRIDINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-07-27 US 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
US-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2015-03-26 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
CN-102675240-B 4-substitute-2-hydroxy morpholine-3-ketone and preparation method thereof ZHEJIANG HISUN PHARM CO LTD 2015-01-14 CN disclosed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 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 (6 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-20170240562-A1 PYRIDINE COMPOUNDS ALPI, ALPP, ALPL APLNR 1140/4885HTR2A 4352/4885HTR2C 3454/4885
US-20200087321-A1 SULFONAMIDE COMPOUNDS ALPI, ASAH2, STS APLNR 1514/4885HTR2A 4268/4885HTR2C 4110/4885
US-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF OPRK1, HTR3C, HTR3A APLNR 319/4885HTR2A 32/4885HTR2C 14/4885
US-11014939-B2 ALPI, ALPP, ACER2 APLNR 593/4885HTR2A 4122/4885HTR2C 3688/4885
US-11046710-B2 Sulfonamide compounds ALPI, ASAH2, STS APLNR 1514/4885HTR2A 4268/4885HTR2C 4110/4885
US-20170210755-A1 PYRIDINE COMPOUNDS ALPI, ALPP, ALPL APLNR 1140/4885HTR2A 4352/4885HTR2C 3454/4885

“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.