SCHEMBL1304471

SCHEMBL1304471

COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)C(C)C)[C@H](CC(C)(C)CCF)CN1CC2

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.61
TBXA2R P21731 1/20 0.61
PTGS1 P23219 1/20 0.61
OPRM1 P35372 1/20 0.61
KCNH2 Q12809 1/20 0.61
SLC18A2 Q05940 9/20 0.55
HTR2A P28223 1/20 0.52

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
SCHEMBL1304474 1.00 HTR1A (0.61) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL1305173 0.91 HTR2A (0.59) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL1305170 0.91 HTR2A (0.59) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL1305695 0.90 HTR1A (0.56) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL1305700 0.90 HTR1A (0.56) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL13804910 0.84 HTR1A (0.56) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL12111429 0.84 HTR1A (0.56) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL12111430 0.83 HTR2A (0.59) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL12111420 0.83 HTR2A (0.59) HTR1ATBXA2RPTGS1OPRM1KCNH2
SCHEMBL12111627 0.83 SLC18A2 (0.65) KCNH2SLC18A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594568-A1 Alpha-fluoroalkyl tetrabenazine and dihydrotetrabenazine imaging agents and probes General Electric Company (US) 2013-05-22 EP disclosed
EP-2594568-A1 Alpha-fluoroalkyl tetrabenazine and dihydrotetrabenazine imaging agents and probes General Electric Company (US) 2013-05-22 EP disclosed
US-8053578-B2 Alpha-fluoroalkyl dihydrotetrabenazine imaging agents and probes GENERAL ELECTRIC COMPANY (US) 2011-11-08 US disclosed
US-8053578-B2 Alpha-fluoroalkyl dihydrotetrabenazine imaging agents and probes GENERAL ELECTRIC COMPANY (US) 2011-11-08 US disclosed
US-8053578-B2 Alpha-fluoroalkyl dihydrotetrabenazine imaging agents and probes GENERAL ELECTRIC COMPANY (US) 2011-11-08 US disclosed
EP-2217599-A1 ALPHA-FLUOROALKYL TETRABENAZINE AND DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES General Electric Company (US) 2010-08-18 EP disclosed
WO-2009070552-A1 ALPHA-FLUOROALKYL TETRABENAZINE AND DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES GENERAL ELECTRIC COMPANY (US) 2009-06-04 WO disclosed
WO-2009070552-A1 ALPHA-FLUOROALKYL TETRABENAZINE AND DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES GENERAL ELECTRIC COMPANY (US) 2009-06-04 WO disclosed
US-20090142276-A1 ALPHA-FLUOROALKYL DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES GENERAL ELECTRIC COMPANY (US) 2009-06-04 US disclosed
US-20090142276-A1 ALPHA-FLUOROALKYL DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES GENERAL ELECTRIC COMPANY (US) 2009-06-04 US disclosed
US-20090142276-A1 ALPHA-FLUOROALKYL DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES GENERAL ELECTRIC COMPANY (US) 2009-06-04 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 (1 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-20090142276-A1 ALPHA-FLUOROALKYL DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES CPT1A, DHCR24, VDAC1 HTR1A 809/4885TBXA2R 1666/4885PTGS1 4421/4885

“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.