SCHEMBL6362425

SCHEMBL6362425

Clc1cccc(-c2nnnn2Cc2ccccc2OCCN2CCOCC2)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.56
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
TRPA1 O75762 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2A13 Q16696 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 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 SCHEMBL6360922 0.99 P2RX7 (0.55) P2RX7DRD1DRD4DRD5SLC6A2
SCHEMBL6359746 0.90 TSHR (0.49) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL6356625 0.89 KDM4E (0.49) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
SCHEMBL6357269 0.81 P2RX7 (0.67) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
SCHEMBL6356216 0.78 P2RX7 (0.70) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
SCHEMBL5815997 0.78 P2RX7 (0.74) P2RX7TRPA1SIGMAR1
SCHEMBL6354503 0.77 P2RX7 (0.60) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
SCHEMBL6361761 0.77 DRD1 (0.53) P2RX7DRD1DRD4DRD5CYP2A13
SCHEMBL6362688 0.76 P2RX7 (0.59) P2RX7SLC6A2SLC6A4TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL6359006 0.76 DRD1 (0.53) P2RX7DRD1DRD4DRD5CYP2A13

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 448/4885DRD1 1257/4885DRD4 2417/4885

“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.