SCHEMBL6352873

SCHEMBL6352873

CN1CCCCC1COc1ccc(Cl)cc1Cn1nnnc1-c1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.48
CHRNB4 P30926 4/20 0.45
CHRNA3 P32297 4/20 0.45
CHRNB1 P11230 3/20 0.45
CHRNB2 P17787 3/20 0.45
CHRNB3 Q05901 3/20 0.45
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TRPA1 O75762 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CHRNA7 P36544 1/20 0.41
PTGER1 P34995 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
Hydrochloric Acid SCHEMBL6362383 0.99 P2RX7 (0.48) P2RX7CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL6363240 0.86 P2RX7 (0.51) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
SCHEMBL6359743 0.82 P2RX7 (0.49) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
SCHEMBL6355281 0.81 P2RX7 (0.53) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
SCHEMBL6361632 0.79 P2RX7 (0.63) P2RX7TRPA1SIGMAR1
SCHEMBL6357063 0.78 P2RX7 (0.50) P2RX7TRPA1SIGMAR1
SCHEMBL6357762 0.78 P2RX7 (0.52) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
SCHEMBL6357779 0.77 P2RX7 (0.60) P2RX7TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL6363300 0.77 P2RX7 (0.51) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
SCHEMBL6359746 0.77 TSHR (0.49) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1

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 2 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

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 448/4885CHRNB4 766/4885CHRNA3 404/4885

“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.