SCHEMBL1671322

SCHEMBL1671322

Cc1cc(C(=O)O)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 16/20 0.50
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM6B O15054 1/20 0.42
▸ TET3 O43151 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ BBOX1 O75936 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ KDM5C P41229 1/20 0.42
▸ ASPH Q12797 1/20 0.42
▸ KDM4D Q6B0I6 1/20 0.42
▸ TET2 Q6N021 1/20 0.42
▸ ALKBH5 Q6P6C2 1/20 0.42
▸ KDM7A Q6ZMT4 1/20 0.42
▸ KDM8 Q8N371 1/20 0.42
▸ TET1 Q8NFU7 1/20 0.42
▸ EGLN2 Q96KS0 1/20 0.42
▸ FTO Q9C0B1 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42

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
Tert-Butylamine SCHEMBL27913717 0.90 KMO (0.45) KMOKDM4EASPHKDM8
Pyridine SCHEMBL28752745 0.89 KMO (0.51) KMOKDM4EALDH1A1KDM6BTET3
SCHEMBL71141 0.83 KMO (0.59) KMOKDM4EALDH1A1KDM6BTET3
SCHEMBL882667 0.82 ALDH1A1 (0.39) KMOALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL3272233 0.80 KMO (0.57) KMOKDM4EALDH1A1KDM6BTET3
Fluoride SCHEMBL21173953 0.80 KMO (0.57) KMOKDM4EALDH1A1KDM6BTET3
Hydrochloric Acid SCHEMBL3272369 0.80 KMO (0.57) KMOKDM4EALDH1A1KDM6BTET3
SCHEMBL24713180 0.80 KMO (0.36) KMOKDM4EALDH1A1SMN1; SMN2
SCHEMBL8148229 0.80 SIRT6 (0.41) KMO
Potassium Ion SCHEMBL4365217 0.78 KMO (0.33) KMOALDH1A1MAPT

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 116 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
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-07-13 — — 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
CN-109322145-A Crease-resistant elastic force breathable fabric 潢川县圣宇服饰科技有限公司 2019-02-12 — — CN claimed
US-20170129901-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-11 — — US claimed
EP-3093291-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-11-16 — — EP claimed
EP-2491038-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-06 — — EP claimed
CN-102781942-B Octahydro pyrrolo-[3,4-c] pyrroles is replaced as two of orexin receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-09-23 — — CN claimed
US-9079911-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 — — US claimed
US-20140179697-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-26 — — US claimed
US-8653263-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA (BE) 2014-02-18 — — US claimed
CN-102781942-A Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2012-11-14 — — CN 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
CN-102595893-A Spirolactam derivatives and uses of same LUNDBECK & CO AS H 2012-07-18 — — CN 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-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 — — US claimed
US-12606570-B2 Deuterated compounds and imaging agents for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2026-04-21 — — US disclosed
WO-1991006541-A1 SULPHONATED HETEROCYCLIC CARBOXAMIDES AS HERBICIDES, GROWTH REGULATORS OR FUNGICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-16 — — 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 (7 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-12606570-B2 Deuterated compounds and imaging agents for imaging huntingtin protein HTT, HYPK, ATXN2 KMO 4503/4885KDM4E 4364/4885ALDH1A1 4171/4885
US-20170129901-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR KMO 508/4885KDM4E 454/4885ALDH1A1 3132/4885
US-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR KMO 508/4885KDM4E 454/4885ALDH1A1 3132/4885
US-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 KMO 4323/4885KDM4E 3815/4885ALDH1A1 2078/4885
US-20140179697-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR KMO 508/4885KDM4E 454/4885ALDH1A1 3132/4885
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR KMO 508/4885KDM4E 454/4885ALDH1A1 3132/4885
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR KMO 508/4885KDM4E 454/4885ALDH1A1 3132/4885

“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.

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