SCHEMBL3027856

SCHEMBL3027856

CCN(CC)C(=O)Cc1c(-c2ccc(Cl)nc2)nc2ccc(Cl)cn12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.67
ALB P02768 2/20 0.67
OPRK1 P41145 2/20 0.67
KCNH2 Q12809 2/20 0.67
NR1I2 O75469 1/20 0.67
ABCB11 O95342 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
ADORA1 P30542 1/20 0.67
OPRM1 P35372 1/20 0.67
DRD3 P35462 1/20 0.67
PDE4D Q08499 1/20 0.67
GABRA2 P47869 3/20 0.62
GABRB2 P47870 3/20 0.62
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
CHRM1 P11229 1/20 0.50
GABRA1 P14867 1/20 0.50
HPGD P15428 1/20 0.50
GABRB1 P18505 1/20 0.50

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
SCHEMBL13217945 0.90 TSPO (0.65) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL13217885 0.90 TSPO (0.65) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL13217826 0.87 TSPO (0.76) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL3030549 0.86 TSPO (0.84) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL13238059 0.85 TSPO (0.72) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL6643251 0.85 TSPO (0.73) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL13217838 0.84 TSPO (0.69) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL13217835 0.83 TSPO (0.68) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL3034122 0.83 TSPO (0.71) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL3030326 0.83 TSPO (0.68) TSPOALBOPRK1KCNH2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2752415-B1 Fluorinated ligands for targeting peripheral benzodiazepine receptors AUSTRALIAN NUCLEAR SCIENCE & TECH ORGANISATION (AU) 2017-10-11 EP disclosed
EP-2752415-A1 Fluorinated ligands for targeting peripheral benzodiazepine receptors AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) 2014-07-09 EP disclosed
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 TSPO 41/4885ALB 4386/4885OPRK1 30/4885

“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.