SCHEMBL12111656

SCHEMBL12111656

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

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC18A2 Q05940 3/20 0.65
▸ HTR2A P28223 1/20 0.65
▸ KCNH2 Q12809 1/20 0.60

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
SCHEMBL14959989 1.00 SLC18A2 (0.65) SLC18A2HTR2AKCNH2
SCHEMBL12111573 1.00 SLC18A2 (0.65) SLC18A2HTR2AKCNH2
SCHEMBL12111627 1.00 SLC18A2 (0.65) SLC18A2HTR2AKCNH2
SCHEMBL12742861 0.92 SLC18A2 (0.65) SLC18A2HTR2AKCNH2
SCHEMBL12742884 0.92 SLC18A2 (0.65) SLC18A2HTR2AKCNH2
SCHEMBL12742881 0.92 SLC18A2 (0.65) SLC18A2HTR2AKCNH2
SCHEMBL12742862 0.92 SLC18A2 (0.65) SLC18A2HTR2AKCNH2
SCHEMBL13816045 0.92 SLC18A2 (0.65) SLC18A2HTR2AKCNH2
SCHEMBL12112399 0.91 SLC18A2 (0.66) SLC18A2HTR2AKCNH2
SCHEMBL12112676 0.90 SLC18A2 (0.65) SLC18A2HTR2AKCNH2

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 6 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
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
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

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 SLC18A2 22/4885HTR2A 416/4885KCNH2 486/4885

“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.

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