SCHEMBL3027449

SCHEMBL3027449

CCCCN(C)C(=O)Cc1c(-c2ccc(OC)cc2)nc2c(Cl)cc(Cl)cn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 6/20 1.00
▸ GMNN O75496 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL3033415 0.85 TSPO (0.85) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3033119 0.84 TSPO (0.73) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3023239 0.82 TSPO (0.70) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3023235 0.82 TSPO (0.73) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3032865 0.80 TSPO (0.67) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL14302334 0.79 TSPO (0.66) TSPOGMNNLMNAPOLBCYP3A4
Alpdem SCHEMBL1230701 0.78 TSPO (1.00) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL13217886 0.78 TSPO (0.64) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL13217949 0.78 TSPO (0.64) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL19444477 0.78 TSPO (0.73) TSPOGMNNLMNAPOLBCYP3A4

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 41/4885GMNN 3307/4885LMNA 2513/4885

“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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