SCHEMBL6359746

SCHEMBL6359746

Clc1ccc(OCCN2CCOCC2)c(Cn2nnnc2-c2cccc(Cl)c2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
P2RX7 Q99572 10/20 0.48
KDM4E B2RXH2 2/20 0.48
HIF1A Q16665 1/20 0.48
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
TRPA1 O75762 1/20 0.43
TP53 P04637 1/20 0.41

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 SCHEMBL6356625 0.99 KDM4E (0.49) TSHRP2RX7KDM4EHIF1ARAB9A
SCHEMBL6362425 0.90 P2RX7 (0.56) TSHRP2RX7KDM4ESLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6360922 0.89 P2RX7 (0.55) TSHRP2RX7KDM4ESLC6A2SLC6A4
SCHEMBL6354516 0.81 P2RX7 (0.62) P2RX7SLC6A2SLC6A4SIGMAR1TRPA1
SCHEMBL6361632 0.79 P2RX7 (0.63) P2RX7SIGMAR1TRPA1
SCHEMBL6355091 0.79 P2RX7 (0.65) P2RX7SIGMAR1TRPA1
SCHEMBL6359743 0.78 P2RX7 (0.49) P2RX7SLC6A2SLC6A4SIGMAR1TRPA1
SCHEMBL6363240 0.78 P2RX7 (0.51) P2RX7SLC6A2SLC6A4SIGMAR1TRPA1
SCHEMBL6357779 0.77 P2RX7 (0.60) P2RX7SIGMAR1TRPA1
SCHEMBL6357184 0.77 P2RX7 (0.66) P2RX7SIGMAR1TRPA1

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 TSHR 755/4885P2RX7 448/4885KDM4E 3232/4885

“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.