SCHEMBL12111430

SCHEMBL12111430

COc1cc2c(cc1OC)[C@@H]1CC(OC(C)=O)[C@@H](CCC(C)(C)CC[19F])CN1CC2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.59
ADRA2A P08913 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
HTR2C P28335 1/20 0.59
PTGS2 P35354 1/20 0.59
DRD3 P35462 1/20 0.59
HTR2B P41595 1/20 0.59
HTR1A P08908 1/20 0.54
TBXA2R P21731 1/20 0.54
PTGS1 P23219 1/20 0.54
OPRM1 P35372 1/20 0.54
KCNH2 Q12809 1/20 0.54
SLC18A2 Q05940 5/20 0.51
DPP4 P27487 1/20 0.48

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
SCHEMBL12111420 1.00 HTR2A (0.59) HTR2AADRA2ADRD2ADRA2BADRA2C
SCHEMBL1305170 0.93 HTR2A (0.59) HTR2AADRA2ADRD2ADRA2BADRA2C
SCHEMBL1305173 0.93 HTR2A (0.59) HTR2AADRA2ADRD2ADRA2BADRA2C
SCHEMBL12111429 0.92 HTR1A (0.56) HTR2AHTR1ATBXA2RPTGS1OPRM1
SCHEMBL12111418 0.92 HTR1A (0.56) HTR2AADRA2ADRD2ADRA2BADRA2C
SCHEMBL13804910 0.92 HTR1A (0.56) HTR2AHTR1ATBXA2RPTGS1OPRM1
SCHEMBL12111388 0.92 HTR2A (0.66) HTR2AADRA2ADRD2ADRA2BADRA2C
SCHEMBL12111395 0.92 HTR2A (0.66) HTR2AADRA2ADRD2ADRA2BADRA2C
SCHEMBL12111690 0.88 HTR2A (0.61) HTR2AADRA2ADRD2ADRA2BADRA2C
SCHEMBL12742881 0.85 SLC18A2 (0.65) HTR2AKCNH2SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053578-B2 Alpha-fluoroalkyl dihydrotetrabenazine imaging agents and probes GENERAL ELECTRIC COMPANY (US) 2011-11-08 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 HTR2A 416/4885ADRA2A 146/4885DRD2 249/4885

“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.