SCHEMBL6357063

SCHEMBL6357063

CC1(C)OCC(COc2ccc(Cl)cc2Cn2nnnc2-c2cccc(Cl)c2Cl)O1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.50
TRPA1 O75762 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
P2RX3 P56373 4/20 0.36

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
SCHEMBL6362541 0.91 P2RX7 (0.57) P2RX7TRPA1SIGMAR1KCNJ5KCNJ3
SCHEMBL6352684 0.82 P2RX7 (0.50) P2RX7TRPA1SIGMAR1
SCHEMBL6359743 0.82 P2RX7 (0.49) P2RX7TRPA1SIGMAR1
SCHEMBL6363240 0.80 P2RX7 (0.51) P2RX7TRPA1SIGMAR1
SCHEMBL6361632 0.78 P2RX7 (0.63) P2RX7TRPA1SIGMAR1
SCHEMBL6352873 0.78 P2RX7 (0.48) P2RX7TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL6362383 0.77 P2RX7 (0.48) P2RX7TRPA1SIGMAR1
SCHEMBL6357779 0.77 P2RX7 (0.60) P2RX7TRPA1SIGMAR1
SCHEMBL6355091 0.76 P2RX7 (0.65) P2RX7TRPA1SIGMAR1
SCHEMBL6359746 0.75 TSHR (0.49) P2RX7TRPA1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP 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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 P2RX7 448/4885TRPA1 708/4885SIGMAR1 341/4885

“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.