SCHEMBL4982800

SCHEMBL4982800

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(Cl)cc1Cl)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.44
POLB P06746 2/20 0.44
NR4A1 P22736 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.39
CXCR3 P49682 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
SCHEMBL4990796 0.93 P2RX7 (0.41) P2RX7POLBNR4A1ALDH1A1SMN1; SMN2
SCHEMBL4985453 0.92 CXCR3 (0.47) P2RX7TSHRCXCR3
SCHEMBL4988478 0.91 P2RX7 (0.50) P2RX7POLBNR4A1ALDH1A1NPSR1
SCHEMBL4988113 0.90 P2RX7 (0.50) P2RX7POLBNR4A1ALDH1A1LMNA
SCHEMBL14272466 0.89 TSHR (0.53) P2RX7POLBALDH1A1LMNAGAA
SCHEMBL5011770 0.86 P2RX7 (0.42) P2RX7POLBNR4A1ALDH1A1LMNA
SCHEMBL4988125 0.86 EPHX2 (0.41) P2RX7POLBNR4A1ALDH1A1LMNA
SCHEMBL4988694 0.86 EPHX2 (0.39) P2RX7TSHRCXCR3
SCHEMBL4988753 0.86 P2RX7 (0.42) P2RX7ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4983637 0.85 P2RX7 (0.47) P2RX7ALDH1A1LMNAHTTSMN1; SMN2

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 1/4885POLB 3676/4885NR4A1 226/4885

“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.