SCHEMBL1590626

SCHEMBL1590626

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
GRM2 Q14416 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
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
SCHEMBL13047073 0.93 ALDH1A1 (0.46) P2RX7ALDH1A1KDM4EHPGDGRM2
SCHEMBL1590433 0.91 ALDH1A1 (0.41) P2RX7ALDH1A1KDM4EHPGDGRM2
SCHEMBL1591439 0.89 KMT2A (0.52) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL17577827 0.89 P2RX7 (0.44) P2RX7ALDH1A1KDM4EHPGDGRM2
SCHEMBL1590818 0.89 PARP14 (0.48) P2RX7ALDH1A1KDM4EHPGDGRM2
SCHEMBL1591288 0.88 ALDH1A1 (0.52) P2RX7ALDH1A1KDM4EHPGDGRM2
SCHEMBL1591185 0.88 GRM2 (0.53) P2RX7ALDH1A1KDM4EHPGDGRM2
SCHEMBL1590487 0.87 KDM4E (0.55) ALDH1A1KDM4EHPGDGRM2LMNA
SCHEMBL1591526 0.85 P2RX7 (0.45) P2RX7ALDH1A1KDM4EHPGDGRM2
SCHEMBL1591191 0.85 P2RX7 (0.51) P2RX7ALDH1A1KDM4EHPGDGRM2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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 (2 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885ALDH1A1 3640/4885KDM4E 4128/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885ALDH1A1 3640/4885KDM4E 4128/4885

“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.