SCHEMBL13047039

SCHEMBL13047039

Cc1cccc(C(=O)Nc2cccc3c(=O)n(CCN4CCOCC4)ccc23)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
P2RX7 Q99572 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 2/20 0.43
SHMT2 P34897 1/20 0.43
CCR8 P51685 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.43
BCL3 P20749 3/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 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
SCHEMBL13046921 0.92 CCR8 (0.51) SMN1; SMN2CNR2CNR1SHMT2CCR8
SCHEMBL13046922 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACNR2CNR1
SCHEMBL13046993 0.89 RXFP1 (0.45) CNR2CNR1SHMT2KMT2AHTT
SCHEMBL13046914 0.88 HTT (0.52) RAB9ACNR2CNR1SHMT2ALDH1A1
SCHEMBL13047030 0.87 HTT (0.48) SHMT2CCR8ALDH1A1MAPTKMT2A
SCHEMBL13046976 0.87 HTT (0.50) NPC1SHMT2ALDH1A1MAPTKMT2A
SCHEMBL13047029 0.85 HTT (0.44) P2RX7CNR2SHMT2HTTPOLB
SCHEMBL13046926 0.85 KMT2A (0.44) NPC1CNR2CNR1SHMT2CCR8
SCHEMBL13046927 0.85 POLB (0.45) CNR2CNR1SHMT2CCR8ALDH1A1
SCHEMBL13047428 0.85 CNR1 (0.53) SMN1; SMN2CNR2CNR1SHMT2ALDH1A1

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 SMN1; SMN2 4369/4885NPC1 2233/4885RAB9A 3422/4885

“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.