SCHEMBL4985443

SCHEMBL4985443

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccccc1F)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.42
TSHR P16473 1/20 0.40
EPHX2 P34913 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4988694 0.90 EPHX2 (0.39) P2RX7TSHREPHX2
SCHEMBL4985517 0.90 P2RX7 (0.50) P2RX7TSHRMEN1KMT2AUSP2
SCHEMBL4988478 0.90 P2RX7 (0.50) P2RX7TSHRMEN1KMT2AUSP2
SCHEMBL4985453 0.89 CXCR3 (0.47) P2RX7TSHREPHX2
SCHEMBL4985491 0.89 P2RX7 (0.40) P2RX7TSHRMEN1KMT2AUSP2
SCHEMBL4985493 0.89 EPHX2 (0.35) P2RX7EPHX2MEN1KMT2ASIGMAR1
SCHEMBL4983637 0.88 P2RX7 (0.47) P2RX7TSHRMEN1KMT2AUSP2
SCHEMBL4991090 0.87 P2RX7 (0.48) P2RX7TSHREPHX2MEN1KMT2A
SCHEMBL4985205 0.87 EPHX2 (0.37) P2RX7TSHREPHX2
SCHEMBL4988897 0.87 P2RX7 (0.38) P2RX7TSHREPHX2

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 P2RX7 1/4885TSHR 3850/4885EPHX2 569/4885

“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.