SCHEMBL4378946

SCHEMBL4378946

O=c1c2cccc([N+](=O)[O-])c2ccn1C1CN2CCC1CC2

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
HTR3A P46098 4/20 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
SCHEMBL1895103 0.80 GAA (0.60) GAA
SCHEMBL7429005 0.80 HTR3A (0.52) HTR3A
SCHEMBL7446472 0.80 HTR3A (0.52) HTR3A
SCHEMBL7438440 0.80 HTR3A (0.52) HTR3A
SCHEMBL4379271 0.80 HTR3A (0.52) HTR3A
Hydrochloric Acid SCHEMBL7442557 0.79 HTR3A (0.51) HTR3A
Hydrochloric Acid SCHEMBL7439892 0.79 HTR3A (0.51) HTR3A
Hydrochloric Acid SCHEMBL7439900 0.79 HTR3A (0.51) HTR3A
Hydrochloric Acid SCHEMBL7436507 0.79 HTR3A (0.51) HTR3A
Hydrochloric Acid SCHEMBL7436517 0.79 HTR3A (0.51) HTR3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
EP-1996585-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-03 EP disclosed
WO-2007109154-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 GAA 4090/4885HTR3A 386/4885

“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.