SCHEMBL13047428

SCHEMBL13047428

O=C(Nc1cccc2c(=O)n(CCN3CCOCC3)ccc12)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.53
CNR2 P34972 5/20 0.51
BACE1 P56817 1/20 0.50
KDM4E B2RXH2 4/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BCL3 P20749 1/20 0.47
SHMT2 P34897 1/20 0.46

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
SCHEMBL13046921 0.89 CCR8 (0.51) CNR1CNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13046914 0.89 HTT (0.52) CNR1CNR2KDM4EHTTPOLB
SCHEMBL13046922 0.86 SMN1; SMN2 (0.46) CNR1CNR2KDM4EALDH1A1MAPT
SCHEMBL13047425 0.85 CYP1A2 (0.56) CNR2KDM4EHTTGAAMAPT
SCHEMBL13046947 0.85 KDM4E (0.55) CNR1CNR2KDM4EHTTGAA
SCHEMBL13047039 0.85 SMN1; SMN2 (0.45) CNR1CNR2KDM4EHTTPOLB
SCHEMBL13046982 0.85 CNR2 (0.45) CNR1CNR2KDM4EHTTGAA
SCHEMBL13046993 0.85 RXFP1 (0.45) CNR1CNR2HTTPOLBBCL3
SCHEMBL13046967 0.84 NPC1 (0.56) CNR2KDM4EHTTPOLBALDH1A1
SCHEMBL13046753 0.83 CNR1 (0.55) CNR1CNR2BACE1KDM4EPOLB

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 42/4885BACE1 1342/4885

“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.