SCHEMBL586173

SCHEMBL586173

[c]1ccccc1-n1ccnn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.40
KEAP1 Q14145 1/20 0.40
CYP19A1 P11511 3/20 0.35
MAP3K5 Q99683 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRNB2 P17787 1/20 0.32
CYP2B6 P20813 1/20 0.32
MAOA P21397 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32

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
SCHEMBL296899 0.74 MAPK1 (0.42) NOTUM
SCHEMBL184324 0.73 NOTUM (0.52) NOTUM
SCHEMBL17028448 0.73 NOTUM (0.41) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL17007253 0.70 NOTUM (0.55) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL1196793 0.70 NOTUM (0.55) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL1195718 0.70 NOTUM (0.55) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL1586262 0.69 NOTUM (0.44) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL1586846 0.69 NOTUM (0.44) NOTUMKEAP1CYP19A1
SCHEMBL28508016 0.69 NOTUM (0.44) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL75570 0.69 NOTUM (0.63) NOTUMKEAP1CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-07-13 US claimed
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP claimed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US claimed
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US claimed
EP-3093291-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-08 EP claimed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US claimed
EP-2491038-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP claimed
US-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-16 US claimed
WO-2011050198-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO claimed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US claimed
EP-0023026-B1 MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-22 EP claimed
EP-0023028-B1 MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-15 EP claimed
US-4336155-A CYANOSTYRYL COMPOUNDS AND OTHER BRIGHTENER HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-22 US claimed
US-4330427-A Mixtures of optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-18 US claimed
EP-0023026-A1 Mixtures of optical brighteners and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-28 EP claimed
EP-0023028-A1 Mixtures of optical brighteners and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-28 EP claimed

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-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R NOTUM 4479/4885KEAP1 702/4885CYP19A1 447/4885
US-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR NOTUM 3681/4885KEAP1 2381/4885CYP19A1 2524/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R NOTUM 4545/4885KEAP1 698/4885CYP19A1 466/4885
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR NOTUM 3681/4885KEAP1 2381/4885CYP19A1 2524/4885
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR NOTUM 3681/4885KEAP1 2381/4885CYP19A1 2524/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R NOTUM 4479/4885KEAP1 702/4885CYP19A1 447/4885

“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.