SCHEMBL13047730

SCHEMBL13047730

Cc1cccc(CCC(=O)Nc2cccc3c(=O)n(CC4CCN(C)CC4)ccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.40
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
GRM2 Q14416 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CHRM3 P20309 2/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NTRK1 P04629 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
KCNQ2 O43526 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
SCHEMBL13047744 0.90 P2RX7 (0.44) P2RX7GRM2CHRM3ADRA1AHRH1
SCHEMBL13046825 0.90 P2RX7 (0.42) P2RX7TP53POLBGRM2KDM4E
SCHEMBL13047634 0.89 GRM2 (0.52) POLBGRM2KDM4EALDH1A1ADRA1A
SCHEMBL13047741 0.88 TP53 (0.42) P2RX7TP53POLBGRM2KDM4E
SCHEMBL13047721 0.87 TRPV1 (0.45) P2RX7TP53GRM2KDM4ENPSR1
SCHEMBL13047716 0.86 P2RX7 (0.46) P2RX7TP53POLBGRM2CHRM3
SCHEMBL13047700 0.86 GRM2 (0.48) P2RX7GRM2KDM4EALDH1A1HPGD
SCHEMBL13047676 0.85 GRM2 (0.51) P2RX7TP53GRM2KDM4EALDH1A1
SCHEMBL13047626 0.85 P2RX7 (0.42) P2RX7POLBGRM2KDM4EALDH1A1
SCHEMBL13047669 0.84 MEN1 (0.46) P2RX7POLBALDH1A1CHRM3

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 1/4885TP53 4589/4885POLB 3676/4885

“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.