SCHEMBL13047129

SCHEMBL13047129

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP14 Q460N5 1/20 0.42

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
SCHEMBL13047079 0.93 P2RX7 (0.51) P2RX7ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13047257 0.87 RXFP1 (0.56) P2RX7ALDH1A1HPGDKDM4ECACNA1G
SCHEMBL1590267 0.86 P2RX7 (0.47) P2RX7ALDH1A1HPGDKDM4ECACNA1G
SCHEMBL13047071 0.86 POLB (0.61) P2RX7ALDH1A1HPGDKDM4EPOLB
SCHEMBL13047083 0.85 GRM2 (0.53) P2RX7ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13046898 0.85 P2RX7 (0.51) P2RX7ALDH1A1HPGDKDM4ECACNA1G
SCHEMBL13047462 0.85 MEN1 (0.47) ALDH1A1HPGDKDM4ETSHRSMN1; SMN2
SCHEMBL13047106 0.85 POLB (0.51) P2RX7ALDH1A1HPGDKDM4ETSHR
SCHEMBL13047081 0.84 P2RX7 (0.52) P2RX7ALDH1A1HPGDKDM4ECACNA1G
SCHEMBL13047091 0.84 P2RX7 (0.52) P2RX7ALDH1A1HPGDKDM4ESMN1; SMN2

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 P2RX7 1/4885ALDH1A1 3640/4885HPGD 368/4885

“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.