SCHEMBL5539004

SCHEMBL5539004

O=C(Cl)N1CCc2cc(Cl)ccc21

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.73
HSD17B3 P37058 2/20 0.54
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
AVPR1A P37288 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
AVPR2 P30518 3/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL5547425 0.90 HDAC1 (0.61) NOTUMHSD17B3AVPR1AAVPR2HDAC1
SCHEMBL3971068 0.86 NOTUM (0.73) NOTUMHSD17B3CDK4CCND1AVPR1A
SCHEMBL21425060 0.86 NOTUM (0.73) NOTUMHSD17B3CDK4CCND1HTR2A
SCHEMBL16600492 0.85 NOTUM (0.71) NOTUMHSD17B3CDK4CCND1AVPR1A
SCHEMBL5009163 0.85 NOTUM (1.00) NOTUMHSD17B3AVPR1A
SCHEMBL26691279 0.81 NOTUM (0.71) NOTUMCDK4CCND1HDAC1HDAC6
SCHEMBL31465710 0.81 NOTUM (0.71) NOTUMCDK4CCND1HDAC1HDAC6
SCHEMBL5563636 0.81 NOTUM (0.70) NOTUMHSD17B3CDK4CCND1AVPR1A
SCHEMBL13624158 0.81 NOTUM (0.66) NOTUMHSD17B3CDK4CCND1AVPR1A
SCHEMBL28322046 0.80 PDK1 (0.51) NOTUM

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345679-B2 Quaternary lactam compound and pharmaceutical use thereof SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO., LTD. (CN) 2022-05-31 US disclosed
EP-3778588-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2021-02-17 EP disclosed
US-20210032219-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO., LTD. (CN) 2021-02-04 US disclosed
WO-2019185046-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF 上海美悦生物科技发展有限公司 2019-10-03 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NOTUM 3827/4885HSD17B3 111/4885CDK4 1103/4885
US-20210032219-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF F2, PCSK9, F9 NOTUM 106/4885HSD17B3 1413/4885CDK4 2916/4885
US-11345679-B2 Quaternary lactam compound and pharmaceutical use thereof F2, PCSK9, F9 NOTUM 106/4885HSD17B3 1413/4885CDK4 2916/4885

“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.