SCHEMBL5815710

SCHEMBL5815710

Clc1ccccc1Cn1nnnc1-c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.61
TRPA1 O75762 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
HSD11B1 P28845 1/20 0.51
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46

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 SCHEMBL6356629 0.99 P2RX7 (0.60) P2RX7TRPA1SIGMAR1HSD11B1ALDH1A1
SCHEMBL6361123 0.87 L3MBTL1 (0.58) P2RX7HSD11B1ALDH1A1L3MBTL1LMNA
SCHEMBL6362310 0.86 P2RX7 (0.69) P2RX7TRPA1SIGMAR1ALDH1A1L3MBTL1
SCHEMBL5813903 0.79 P2RX7 (0.67) P2RX7TRPA1SIGMAR1ALDH1A1LMNA
SCHEMBL6361742 0.76 P2RX7 (0.52) P2RX7ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL6360823 0.76 P2RX7 (0.61) P2RX7HSD11B1ALDH1A1L3MBTL1LMNA
SCHEMBL6356617 0.76 P2RX7 (0.52) P2RX7ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL6356718 0.76 P2RX7 (0.60) P2RX7LMNATSHR
SCHEMBL5815194 0.75 P2RX7 (0.82) P2RX7TRPA1SIGMAR1
SCHEMBL5815069 0.75 P2RX7 (1.00) 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.