SCHEMBL577820

SCHEMBL577820

Oc1ccc2c(c1)C[N]C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.41
DRD3 P35462 6/20 0.41
DRD1 P21728 5/20 0.41
DRD5 P21918 4/20 0.41
OPRK1 P41145 1/20 0.39
DRD4 P21917 4/20 0.39
PBRM1 Q86U86 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B2 P19099 1/20 0.38
HSD17B1 P14061 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PRKCI P41743 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL3245289 0.82 DRD2 (0.44) DRD2DRD3DRD1DRD5OPRK1
SCHEMBL586165 0.75 HTR2A (0.45) DRD4
SCHEMBL14317167 0.70 DRD1 (0.61) DRD2DRD3DRD1DRD5OPRK1
SCHEMBL30672580 0.70
SCHEMBL8408108 0.70
SCHEMBL21318766 0.70
SCHEMBL577455 0.70 PNMT (0.42)
SCHEMBL788852 0.69 HSD17B1 (0.64) DRD2DRD3DRD1DRD5DRD4
Ammonia Solution, Strong SCHEMBL21632258 0.69 DRD2 (0.54) DRD2DRD3DRD1DRD5OPRK1
SCHEMBL29439100 0.69 HSD17B1 (0.64) DRD2DRD3DRD1DRD5DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843379-B Substituted ureas and methods of making and using the same 梅比斯发现公司 2022-12-30 CN claimed
US-10683283-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2020-06-16 US claimed
EP-3506983-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME Mebias Discovery LLC (US) 2019-07-10 EP claimed
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC 2019-06-27 US claimed
WO-2018045229-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC (US) 2018-03-08 WO claimed
CN-109843379-B Substituted ureas and methods of making and using the same 梅比斯发现公司 2022-12-30 CN disclosed
US-11198685-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2021-12-14 US disclosed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US disclosed
US-10683283-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2020-06-16 US disclosed
EP-3506983-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME Mebias Discovery LLC (US) 2019-07-10 EP disclosed
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC 2019-06-27 US disclosed
WO-2018045229-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC (US) 2018-03-08 WO disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
EP-0313081-B1 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same OTSUKA PHARMA CO LTD (JP) 1994-02-02 EP disclosed
US-4950662-A ANTIBIOTIC OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-21 US 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-10683283-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885DRD1 3621/4885
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885DRD1 3621/4885
US-11198685-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885DRD1 3621/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885DRD1 3621/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 DRD2 4735/4885DRD3 4654/4885DRD1 4699/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 DRD2 4735/4885DRD3 4654/4885DRD1 4699/4885

“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.