SCHEMBL13047091

SCHEMBL13047091

Cc1ccc(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)C)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.52
GRM2 Q14416 1/20 0.48
PARP14 Q460N5 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 4/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NLRP3 Q96P20 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1591191 0.93 P2RX7 (0.51) P2RX7GRM2PARP14KDM4EALDH1A1
SCHEMBL13047120 0.90 P2RX7 (0.51) P2RX7GRM2KDM4EALDH1A1HPGD
SCHEMBL13047081 0.89 P2RX7 (0.52) P2RX7GRM2KDM4EALDH1A1HPGD
SCHEMBL13047083 0.89 GRM2 (0.53) P2RX7GRM2PARP14KDM4EALDH1A1
SCHEMBL13047087 0.87 P2RX7 (0.48) P2RX7GRM2KDM4EALDH1A1HPGD
SCHEMBL13046659 0.86 PARP14 (0.49) P2RX7GRM2PARP14KDM4EALDH1A1
SCHEMBL17571984 0.86 GRM2 (0.66) P2RX7GRM2PARP14POLBLMNA
SCHEMBL13046657 0.85 P2RX7 (0.46) P2RX7GRM2KDM4EALDH1A1HPGD
SCHEMBL13047073 0.85 ALDH1A1 (0.46) P2RX7GRM2KDM4EALDH1A1HPGD
SCHEMBL1590987 0.85 P2RX7 (0.49) P2RX7GRM2PARP14KDM4EALDH1A1

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 1/4885GRM2 332/4885PARP14 2099/4885

“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.