SCHEMBL4980967

SCHEMBL4980967

COc1cc(OCc2ccccc2)ccc1CN1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ERBB4 Q15303 1/20 0.41
P2RX7 Q99572 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
REV1 Q9UBZ9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4980889 0.91 P2RX7 (0.48) EPHX2P2RX7ALDH1A1MAPTMAPK1
SCHEMBL4987025 0.89 EPHX2 (0.40) EPHX2EGFRP2RX7ALDH1A1KDM4E
SCHEMBL4991090 0.88 P2RX7 (0.48) EPHX2P2RX7CYP2D6
SCHEMBL4983637 0.83 P2RX7 (0.47) P2RX7ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL4988633 0.83 P2RX7 (0.47) EPHX2P2RX7MAPTMAPK1HTT
SCHEMBL4990757 0.83 P2RX7 (0.47) EPHX2P2RX7GAAP2RX3
SCHEMBL4985490 0.83 P2RX7 (0.48) EPHX2P2RX7ALDH1A1SMN1; SMN2TDP1
SCHEMBL4992530 0.82 P2RX7 (0.44) EPHX2P2RX7ALDH1A1
SCHEMBL4982878 0.82 P2RX7 (0.43) EGFRP2RX7ALDH1A1MAPK1SMN1; SMN2
SCHEMBL4991158 0.82 P2RX7 (0.47) EPHX2P2RX7MAPTMAPK1L3MBTL1

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 EPHX2 569/4885EGFR 4721/4885ERBB2 3780/4885

“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.