SCHEMBL1286790

SCHEMBL1286790

CCOC(=O)C1CC12CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL28492895 1.00 OPRM1 (0.41) OPRM1HRH3ALDH1A1PPM1BPTPN1
Hydrochloric Acid SCHEMBL31599756 0.98 OPRM1 (0.40) OPRM1HRH3ALDH1A1PPM1BPTPN1
SCHEMBL17390200 0.90 OPRM1 (0.36) OPRM1ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL1634121 0.84 ALDH1A1 (0.46) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL16369922 0.84 ALDH1A1 (0.43) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL1635627 0.82 ALDH1A1 (0.49) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL14699452 0.82 CYP3A4 (0.38) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL1634763 0.82 ALDH1A1 (0.49) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL1634765 0.82 ALDH1A1 (0.49) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL16985036 0.81 ALDH1A1 (0.37) OPRM1ALDH1A1PPM1BPTPN1PPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 CN disclosed
EP-3099694-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-16 EP disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 US disclosed
US-9550793-B2 Spirocyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-01-24 US disclosed
US-9550793-B2 Spirocyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-01-24 US disclosed
US-9550793-B2 Spirocyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-01-24 US disclosed
WO-2016021562-A1 CYANOTHIOPHENE DERIVATIVE キッセイ薬品工業株式会社 2016-02-11 WO disclosed
US-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-06 US disclosed
US-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-06 US disclosed
US-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-06 US disclosed
WO-2012047703-A2 CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS SCHERING CORPORATION (US) 2012-04-12 WO disclosed
WO-2012047703-A2 CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS SCHERING CORPORATION (US) 2012-04-12 WO disclosed
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-07-01 US disclosed
WO-2008147314-A1 SPIROCYCLOPROPYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-12-04 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 (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-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DGAT1, DGAT2, CPT1A OPRM1 2065/4885HRH3 4710/4885ALDH1A1 307/4885
US-20100168105-A1 Spirocyclopropyl Piperidine Derivatives HRH3, HRH2, HRH4 OPRM1 95/4885HRH3 1/4885ALDH1A1 685/4885
US-20170022204-A1 COMPOUNDS LRRK2, PARK7, PINK1 OPRM1 2945/4885HRH3 2368/4885ALDH1A1 3795/4885

“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.