SCHEMBL2845209

SCHEMBL2845209

CCOC(=O)C1CC2(CCNCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.35

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
SCHEMBL15994466 0.89 CYP3A4 (0.40) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14027006 0.85 MAPT (0.44) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19436606 0.84 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL20139837 0.83 CYP2C19 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL23763208 0.81 ALDH1A1 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL21584601 0.80 CHRNB2 (0.44) CYP3A4CYP2C19KMT2A
SCHEMBL31249732 0.80
Hydrochloric Acid SCHEMBL31249731 0.79
Hydrochloric Acid SCHEMBL31017572 0.79 CHRNB2 (0.43) CYP3A4CYP2C19KMT2A
SCHEMBL30943025 0.78 ALDH1A1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN 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
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-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 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 (2 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 2065/4885CYP3A4 1064/4885CYP2D6 320/4885
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 OPRM1 250/4885CYP3A4 2164/4885CYP2D6 1679/4885

“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.