SCHEMBL5815069

SCHEMBL5815069

Clc1ccccc1-c1nnnn1Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 1.00
TRPA1 O75762 1/20 0.81
SIGMAR1 Q99720 1/20 0.81

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 SCHEMBL6361582 0.99 P2RX7 (0.97) P2RX7TRPA1SIGMAR1
SCHEMBL29409600 0.90 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL29384490 0.90 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL5815398 0.90 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL29481006 0.89 P2RX7 (0.98) P2RX7TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL3358157 0.89 P2RX7 (0.98) P2RX7TRPA1SIGMAR1
SCHEMBL5815858 0.87 P2RX7 (0.81) P2RX7TRPA1SIGMAR1
SCHEMBL5810903 0.86 P2RX7 (0.80) P2RX7TRPA1SIGMAR1
SCHEMBL5815008 0.86 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL5816009 0.85 P2RX7 (0.98) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211739-A1 Use of selective P2X7 receptor antagonists ABBOTT LABORATORIES 2006-09-21 US claimed
WO-2006086229-A1 THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2006-08-17 WO claimed
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-20060211739-A1 Use of selective P2X7 receptor antagonists ABBOTT LABORATORIES 2006-09-21 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 (2 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
US-20060211739-A1 Use of selective P2X7 receptor antagonists P2RX1, P2RX3, P2RX7 P2RX7 3/4885TRPA1 31/4885SIGMAR1 63/4885

“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.