SCHEMBL13217954

SCHEMBL13217954

CN(C)C(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 6/20 0.83
GABRA1 P14867 4/20 0.83
TSPO P30536 3/20 0.66
GABRA2 P47869 3/20 0.66
ALB P02768 2/20 0.66
OPRK1 P41145 2/20 0.66
KCNH2 Q12809 2/20 0.66
NR1I2 O75469 1/20 0.66
ABCB11 O95342 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
ADORA1 P30542 1/20 0.66
OPRM1 P35372 1/20 0.66
DRD3 P35462 1/20 0.66
PDE4D Q08499 1/20 0.66
KDM4E B2RXH2 1/20 0.66
LMNA P02545 1/20 0.66
CYP3A4 P08684 1/20 0.66
CHRM1 P11229 1/20 0.66
HPGD P15428 1/20 0.66
GABRB1 P18505 1/20 0.66

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
SCHEMBL11069376 0.93 TSPO (0.75) GABRB2GABRA1TSPOGABRA2ALB
SCHEMBL6642164 0.89 GABRB2 (0.66) GABRB2GABRA1TSPOGABRA2ALB
SCHEMBL13284395 0.87 GABRB2 (1.00) GABRB2GABRA1TSPOGABRA2ALB
SCHEMBL3022501 0.84 TSPO (0.60) GABRB2GABRA1TSPOGABRA2ALB
SCHEMBL13217931 0.84 TSPO (0.60) GABRB2GABRA1TSPOGABRA2ALB
SCHEMBL13217957 0.84 GABRB2 (0.58) GABRB2GABRA1TSPOGABRA2ALB
SCHEMBL10526954 0.82 TSPO (0.68) GABRB2GABRA1TSPOGABRA2ALB
Alpidem SCHEMBL4014704 0.81 TSPO (0.83) GABRB2GABRA1TSPOGABRA2ALB
Zolpidem SCHEMBL5606185 0.80 GABRB2 (1.00) GABRB2GABRA1TSPOGABRA2ALB
Zolpidem SCHEMBL80516 0.80 GABRB2 (1.00) GABRB2GABRA1TSPOGABRA2ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100209345-A1 Fluorinated Ligands for Targeting Peripheral Benzodiazepine Receptors AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION 2010-08-19 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-20100209345-A1 Fluorinated Ligands for Targeting Peripheral Benzodiazepine Receptors GABRA6, GABRA1, GABRA2 GABRB2 8/4885GABRA1 2/4885TSPO 41/4885

“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.