SCHEMBL13612540

SCHEMBL13612540

C1CC[C@H]2NCCC[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 3/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
EPAS1 Q99814 1/20 0.42
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
PKM P14618 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
SCHEMBL242797 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL26722446 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL12699779 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL4189941 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL90804 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL8825950 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL13447 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL166482 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL14621027 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL937629 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10982337-B2 Corrosion inhibition SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2021-04-20 US disclosed
US-20180312980-A1 CORROSION INHIBITION SCHLUMBERGER TECHNOLOGY CORPORATION 2018-11-01 US disclosed
US-20170224713-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-10 US disclosed
US-9585885-B2 Substituted pyrido[2,3-g]quinazolines as dopamine D2 receptor agonists KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-9585885-B2 Substituted pyrido[2,3-g]quinazolines as dopamine D2 receptor agonists KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-20160058757-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMA CO LTD (JP) 2016-03-03 US disclosed
US-20150315183-A1 NOVEL OCTAHYDROPYRIDOQUINAZOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES FOR SAID DERIAVATIVE AND COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-11-05 US disclosed
US-20150315183-A1 NOVEL OCTAHYDROPYRIDOQUINAZOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES FOR SAID DERIAVATIVE AND COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-11-05 US disclosed
EP-2930175-A1 NOVEL OCTAHYDROPYRIDOQUINAZOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES FOR SAID DERIVATIVE AND COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2015-10-14 EP disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
WO-2014092006-A1 NOVEL OCTAHYDROPYRIDOQUINAZOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES FOR SAID DERIVATIVE AND COMPOSITION キッセイ薬品工業株式会社 (JP) 2014-06-19 WO disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 US disclosed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
WO-2007146136-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-12-21 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 (8 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-20150315183-A1 NOVEL OCTAHYDROPYRIDOQUINAZOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES FOR SAID DERIAVATIVE AND COMPOSITION DRD2, DRD1, ADRA1D MBTD1 2306/4885L3MBTL3 4456/4885EPAS1 3307/4885
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN1, KCNN3, KCNN2 MBTD1 4073/4885L3MBTL3 4649/4885EPAS1 2191/4885
US-20170224713-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 MBTD1 3621/4885L3MBTL3 502/4885EPAS1 2394/4885
US-20160058757-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 MBTD1 3754/4885L3MBTL3 810/4885EPAS1 2157/4885
US-20180312980-A1 CORROSION INHIBITION AOC2, CA1, MAOB MBTD1 3595/4885L3MBTL3 3327/4885EPAS1 4129/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH MBTD1 2637/4885L3MBTL3 465/4885EPAS1 1994/4885
US-10982337-B2 Corrosion inhibition AOC2, CA1, MAOB MBTD1 3595/4885L3MBTL3 3327/4885EPAS1 4129/4885
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 MBTD1 4113/4885L3MBTL3 4655/4885EPAS1 1803/4885

“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.