SCHEMBL79594

SCHEMBL79594

COC(=O)C[C@]1(C(C)(C)C)CCCCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33

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
SCHEMBL28527648 0.95 CYP3A4 (0.32) CYP3A4
SCHEMBL28525796 0.95 CYP3A4 (0.32) CYP3A4
SCHEMBL80872 0.85
SCHEMBL702496 0.83 TSHR (0.37)
SCHEMBL16538439 0.81 SMN1; SMN2 (0.34)
SCHEMBL2123586 0.80
SCHEMBL5473755 0.79
SCHEMBL5469923 0.79
SCHEMBL79248 0.79
SCHEMBL337263 0.78 CYP3A4 (0.32) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 US disclosed
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
EP-2358713-A1 IMIDAZOPYRIDAZINE DERIVATIVES ACTING AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-08-24 EP disclosed
EP-2358712-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2011-08-24 EP disclosed
EP-2358711-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2011-08-24 EP disclosed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 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 (4 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 CYP3A4 1947/4885
US-20110288098-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 CYP3A4 310/4885
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 CYP3A4 3797/4885
US-20100160345-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 CYP3A4 310/4885

“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.