SCHEMBL2589124

SCHEMBL2589124

O=S(=O)(c1ccccc1)c1noc2c1CNCC2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.53
HTR7 P34969 2/20 0.51
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL1867192 0.73 HTR7 (0.79) HTR6HTR7CHRM2CHRM4CHRM5
SCHEMBL10322900 0.69 HTR6 (1.00) HTR6
SCHEMBL10323930 0.69 HTR6 (1.00) HTR6
Hydrochloric Acid SCHEMBL10322673 0.69 HTR6 (0.97) HTR6
Hydrochloric Acid SCHEMBL10324331 0.69 HTR6 (0.97) HTR6
SCHEMBL20547357 0.68 HTR7 (1.00) HTR6HTR7CHRM2CHRM4CHRM5
SCHEMBL16221083 0.68 CHRM3 (0.56) HTR6HTR7CHRM2CHRM4CHRM5
SCHEMBL10344279 0.67 HTR6 (1.00) HTR6
SCHEMBL10344280 0.67 HTR6 (1.00) HTR6
SCHEMBL10344410 0.67 HTR6 (1.00) HTR6

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-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 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 (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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 HTR6 158/4885HTR7 61/4885CHRM2 1290/4885

“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.