SCHEMBL3597388

SCHEMBL3597388

COc1ccc2c(c1[N+](=O)[O-])CCNC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
PNMT P11086 3/20 0.47
HTR2A P28223 2/20 0.47
ADRA2A P08913 1/20 0.47
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2 P17301 1/20 0.38

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
SCHEMBL3600557 0.82 PNMT (0.49) HTR2CHTR2BPNMTHTR2AADRA2A
SCHEMBL3606170 0.79 HTR2A (0.50) HTR2CHTR2BPNMTHTR2AADRA2A
SCHEMBL3602160 0.79 PNMT (0.49) HTR2CHTR2BPNMTHTR2AADRA2A
SCHEMBL8730062 0.78 TDP1 (0.45) HTR2CHTR2BHTR2AKDM4EPOLB
SCHEMBL829320 0.76 HTR2C (0.53) HTR2CHTR2BPNMTHTR2AKDM4E
SCHEMBL12682948 0.76 HTR2C (0.53) HTR2CHTR2BPNMTHTR2ACD274
SCHEMBL2062200 0.76 KDM4E (0.43) HTR2CHTR2BHTR2AKDM4EPOLB
Hydrochloric Acid SCHEMBL16039618 0.75 HTR2C (0.51) HTR2CHTR2BPNMTHTR2AKDM4E
SCHEMBL17583866 0.75 HTR2C (0.51) HTR2CHTR2BPNMTHTR2ACD274
SCHEMBL3776258 0.75 HTR2C (0.79) HTR2CHTR2BPNMTHTR2AADRA2A

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
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 HTR2C 1168/4885HTR2B 1096/4885PNMT 4045/4885

“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.