SCHEMBL13046993

SCHEMBL13046993

Cc1c(Cl)cccc1C(=O)Nc1cccc2c(=O)n(CCN3CCOCC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 1/20 0.45
CNR2 P34972 3/20 0.44
CNR1 P21554 2/20 0.44
SHMT2 P34897 1/20 0.43
GRM2 Q14416 1/20 0.43
MAPK1 P28482 1/20 0.43
MT-CO2 P00403 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGES O14684 1/20 0.42
BCL3 P20749 2/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL13046914 0.92 HTT (0.52) HTTCNR2CNR1SHMT2GRM2
SCHEMBL13046922 0.91 SMN1; SMN2 (0.46) CNR2CNR1SHMT2KMT2AL3MBTL1
SCHEMBL13047039 0.89 SMN1; SMN2 (0.45) HTTCNR2CNR1SHMT2POLB
SCHEMBL13046921 0.88 CCR8 (0.51) CNR2CNR1SHMT2KMT2ABCL3
SCHEMBL13047029 0.87 HTT (0.44) HTTCNR2SHMT2MAPK1POLB
SCHEMBL13047030 0.85 HTT (0.48) HTTSHMT2POLBKMT2A
SCHEMBL13046976 0.85 HTT (0.50) HTTSHMT2POLBKMT2A
SCHEMBL13046916 0.85 HTT (0.61) HTTKMT2A
SCHEMBL13046920 0.85 HTT (0.52) HTTKMT2AL3MBTL1
SCHEMBL13047428 0.85 CNR1 (0.53) HTTCNR2CNR1SHMT2POLB

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 RXFP1 1036/4885HTT 4422/4885CNR2 42/4885

“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.