SCHEMBL1590881

SCHEMBL1590881

COc1ccc(CCC(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRM2 Q14416 2/20 0.42
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 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
SCHEMBL1591395 0.92 ALDH1A1 (0.47) P2RX7GAAGRM2ALDH1A1RAB9A
SCHEMBL1591310 0.91 EPHX2 (0.48) P2RX7HPGDALDH1A1RAB9AHTT
SCHEMBL1590762 0.89 TRPV1 (0.46) P2RX7RAB9ANPC1KDM4E
SCHEMBL1590746 0.85 HTT (0.46) P2RX7GAACYP3A4HPGDCYP2C19
SCHEMBL1590208 0.85 POLB (0.46) P2RX7GAAALDH1A1HTTHSD17B10
SCHEMBL1590386 0.85 P2RX7 (0.42) P2RX7NPC1KDM4E
SCHEMBL1590251 0.84 EPHX2 (0.47) P2RX7HPGDGRM2ALDH1A1RAB9A
SCHEMBL1590692 0.83 P2RX7 (0.42) P2RX7HPGDNPC1MAPT
SCHEMBL1590403 0.83 SHMT2 (0.45) P2RX7HTTHSD17B10SMN1; SMN2KDM4E
SCHEMBL1590835 0.83 MEN1 (0.53) P2RX7ALDH1A1RAB9AHTTHSD17B10

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 2 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

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-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885GAA 4179/4885CYP1A2 1172/4885

“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.