SCHEMBL13047073

SCHEMBL13047073

Cc1ccccc1CC(=O)Nc1cccc2c(=O)n(CC(C)(C)C)ccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
P2RX7 Q99572 1/20 0.45
TP53 P04637 2/20 0.42
GRM2 Q14416 2/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40

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
SCHEMBL1590626 0.93 P2RX7 (0.44) ALDH1A1KDM4EHPGDP2RX7GRM2
SCHEMBL13046654 0.91 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDP2RX7TP53
SCHEMBL13047060 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDP2RX7TP53
SCHEMBL13047055 0.89 KMT2A (0.53) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL13046659 0.89 PARP14 (0.49) ALDH1A1KDM4EHPGDP2RX7TP53
SCHEMBL13047063 0.88 GRM2 (0.53) ALDH1A1KDM4EHPGDP2RX7TP53
SCHEMBL13047067 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDTP53GRM2
SCHEMBL13046657 0.85 P2RX7 (0.46) ALDH1A1KDM4EHPGDP2RX7TP53
SCHEMBL13047091 0.85 P2RX7 (0.52) ALDH1A1KDM4EHPGDP2RX7TP53
SCHEMBL13047128 0.85 POLB (0.56) ALDH1A1KDM4EHPGDTP53GRM2

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 ALDH1A1 3640/4885KDM4E 4128/4885HPGD 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.