SCHEMBL3606170

SCHEMBL3606170

O=[N+]([O-])c1c(Cl)ccc2c1CCNC2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.50
HTR2C P28335 4/20 0.50
HTR2B P41595 4/20 0.50
PNMT P11086 11/20 0.49
ADRA2A P08913 3/20 0.49
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CD44 P16070 1/20 0.39

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
SCHEMBL11325445 0.82 PNMT (0.60) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3602160 0.81 PNMT (0.49) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3600557 0.81 PNMT (0.49) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3597388 0.79 HTR2C (0.47) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL30139643 0.74 HTR2A (0.75) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL6187756 0.74 HTR2A (0.75) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL16269165 0.73 HTR2A (0.55) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL11359434 0.73 PNMT (0.73) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL30487392 0.72 HTR2A (0.54) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL38653706 0.72 HTR2A (0.54) HTR2AHTR2CHTR2BPNMTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 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-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 HTR2A 1058/4885HTR2C 1168/4885HTR2B 1096/4885

“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.