SCHEMBL13047022

SCHEMBL13047022

CCOc1ccccc1CC(=O)Nc1cccc2c(=O)n(CCN3CCOCC3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 3/20 0.46
THRB P10828 1/20 0.46
SHMT2 P34897 1/20 0.46
GRM2 Q14416 1/20 0.44

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
SCHEMBL13046954 0.91 GRM2 (0.52) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL13046956 0.86 SHMT2 (0.47) POLBNPSR1KMT2AMAPTMEN1
SCHEMBL13046969 0.86 EPHX2 (0.48) POLBNPSR1RAB9AHTTGRM2
SCHEMBL13046947 0.85 KDM4E (0.55) POLBNPSR1KMT2AMAPTMEN1
SCHEMBL13046820 0.85 POLB (0.51) POLBNPSR1KMT2AMAPTMEN1
SCHEMBL13046950 0.84 KMT2A (0.47) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL13047256 0.84 TP53 (0.62) POLBKMT2AMAPTALDH1A1RAB9A
SCHEMBL13046951 0.84 GRM2 (0.52) POLBKMT2AMAPTMEN1LMNA
SCHEMBL13046896 0.84 POLB (0.59) POLBKMT2AMAPTALDH1A1RAB9A
SCHEMBL13046945 0.83 GRM2 (0.54) POLBNPSR1MAPTALDH1A1RAB9A

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-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 POLB 3676/4885NPSR1 326/4885KMT2A 4614/4885

“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.