SCHEMBL3602160

SCHEMBL3602160

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.49
ADRA2A P08913 3/20 0.49
HTR2C P28335 4/20 0.43
HTR2A P28223 3/20 0.43
HTR2B P41595 3/20 0.43
ASIC3 Q9UHC3 1/20 0.40
CD44 P16070 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.34
NISCH Q9Y2I1 1/20 0.34

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
SCHEMBL11328824 0.82 PNMT (0.45) PNMTADRA2AHTR2CHTR2AHTR2B
SCHEMBL3600557 0.81 PNMT (0.49) PNMTADRA2AHTR2CHTR2AHTR2B
SCHEMBL3606170 0.81 HTR2A (0.50) PNMTADRA2AHTR2CHTR2AHTR2B
SCHEMBL3597388 0.79 HTR2C (0.47) PNMTADRA2AHTR2CHTR2AHTR2B
SCHEMBL6610894 0.73 HTR2C (0.48) PNMTADRA2AHTR2CHTR2AHTR2B
SCHEMBL30487392 0.72 HTR2A (0.54) PNMTADRA2AHTR2CHTR2AHTR2B
SCHEMBL17008811 0.72 PTGER4 (0.31)
SCHEMBL19642911 0.71 HTR2C (0.47) PNMTADRA2AHTR2CHTR2AHTR2B
SCHEMBL31173285 0.71 HTR2C (0.77) PNMTADRA2AHTR2CHTR2AHTR2B
SCHEMBL29507169 0.71 PNMT (0.58) PNMTADRA2AHTR2CHTR2AHTR2B

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-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
WO-2007109182-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-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 PNMT 4045/4885ADRA2A 543/4885HTR2C 1168/4885

“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.