SCHEMBL13047051

SCHEMBL13047051

COc1ccccc1CCC(=O)Nc1cccc2c(=O)n(CC(C)(C)C)ccc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 3/20 0.56
GRM2 Q14416 1/20 0.55
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL13047067 0.91 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDGRM2RAB9A
SCHEMBL13046654 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGRM2LMNA
SCHEMBL13047542 0.86 TP53 (0.60) ALDH1A1KDM4EHPGDGRM2RAB9A
SCHEMBL13046663 0.86 GRM2 (0.51) ALDH1A1KDM4EHPGDGRM2RAB9A
SCHEMBL1590679 0.86 GRM2 (0.54) ALDH1A1KDM4EHPGDGRM2RAB9A
SCHEMBL13046852 0.85 GRM2 (0.58) ALDH1A1KDM4EHPGDGRM2RAB9A
SCHEMBL1590487 0.84 KDM4E (0.55) ALDH1A1KDM4EHPGDGRM2RAB9A
SCHEMBL1590742 0.82 GRM2 (0.50) ALDH1A1KDM4EHPGDGRM2RAB9A
SCHEMBL13046945 0.82 GRM2 (0.54) ALDH1A1KDM4EHPGDGRM2RAB9A
SCHEMBL13046655 0.82 GRM2 (0.55) ALDH1A1KDM4EHPGDGRM2RAB9A

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.