SCHEMBL13047025

SCHEMBL13047025

COc1ccc(CC(=O)Nc2cccc3c(=O)n(CCN4CCOCC4)ccc23)cc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
P2RX7 Q99572 1/20 0.48
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TNF P01375 1/20 0.43

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
SCHEMBL13046965 0.93 RAB9A (0.59) RAB9AP2RX7LMNAMAPTMAPK1
SCHEMBL13046966 0.87 POLB (0.55) RAB9AP2RX7MAPTMAPK1KDM4E
SCHEMBL13046970 0.87 GRM2 (0.53) P2RX7MAPK1TSHRKDM4EALDH1A1
SCHEMBL13047041 0.86 ALDH1A1 (0.51) LMNAMAPTMAPK1TSHRMAPK13
SCHEMBL13046973 0.86 GRM2 (0.48) RAB9AP2RX7LMNAMAPK1KDM4E
SCHEMBL13047257 0.86 RXFP1 (0.56) RAB9AP2RX7MAPTKDM4EALDH1A1
SCHEMBL13046968 0.86 P2RX7 (0.50) P2RX7TSHRALDH1A1
SCHEMBL13046821 0.86 RAB9A (0.46) RAB9AP2RX7TSHRHTTKDM4E
SCHEMBL13046963 0.86 POLB (0.53) RAB9AP2RX7TSHRHTTALDH1A1
SCHEMBL13046955 0.86 L3MBTL1 (0.52) RAB9ALMNAMAPK1MAPK13MAPK12

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 RAB9A 3422/4885P2RX7 1/4885LMNA 1911/4885

“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.