SCHEMBL13046802

SCHEMBL13046802

O=C(Nc1cccc2c(=O)n(CC3CCOCC3)ccc12)c1cccc2c1OCCO2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.55
CNR2 P34972 8/20 0.55
MRGPRX1 Q96LB2 1/20 0.46
HTR4 Q13639 8/20 0.41
P2RX7 Q99572 2/20 0.39
TAS2R8 Q9NYW2 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
SCHEMBL13046753 0.85 CNR1 (0.55) CNR1CNR2P2RX7
SCHEMBL13046982 0.84 CNR2 (0.45) CNR1CNR2MRGPRX1HTR4
SCHEMBL13046734 0.84 PARP1 (0.47) CNR1CNR2P2RX7
SCHEMBL13046727 0.84 HPGD (0.48) CNR1CNR2P2RX7
SCHEMBL13046829 0.84 CNR1 (0.40) CNR1CNR2P2RX7
SCHEMBL13046735 0.83 SMN1; SMN2 (0.42) CNR1CNR2P2RX7
SCHEMBL13047115 0.82 CNR1 (0.42) CNR1CNR2MRGPRX1HTR4TAS2R8
SCHEMBL13046806 0.82 P2RX7 (0.42) CNR1CNR2P2RX7
SCHEMBL1590551 0.81 CNR1 (0.42) CNR1CNR2MRGPRX1HTR4TAS2R8
SCHEMBL1590806 0.81 CNR1 (0.42) CNR1CNR2MRGPRX1HTR4P2RX7

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-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 CNR1 49/4885CNR2 42/4885MRGPRX1 43/4885

“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.