SCHEMBL13047054

SCHEMBL13047054

CC(C)(C)Cn1ccc2c(NC(=O)c3cccc4ccccc34)cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CNR2 P34972 6/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC16A3 O15427 1/20 0.44
PPARG P37231 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CNR1 P21554 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL1590821 0.92 MAPT (0.46) MAPTGAARAB9ANPC1CNR2
SCHEMBL13047446 0.89 PARP1 (0.54) RAB9ANPC1CNR2ALDH1A1KDM4E
SCHEMBL13047047 0.88 ALDH1A1 (0.54) MAPTRAB9ANPC1CNR2ALDH1A1
SCHEMBL13047121 0.84 HPGD (0.44) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13047059 0.84 NPC1 (0.49) MAPTGAARAB9ANPC1CNR2
SCHEMBL13047055 0.83 KMT2A (0.53) GAANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13047204 0.83 CNR2 (0.62) MAPTGAARAB9ANPC1CNR2
SCHEMBL13046854 0.83 HTR6 (0.48) MAPTGAARAB9ANPC1CNR2
SCHEMBL13047447 0.82 POLB (0.45) MAPTRAB9ACNR2ALDH1A1SMN1; SMN2
SCHEMBL13047100 0.81 RAB9A (0.52) MAPTRAB9ANPC1ALDH1A1SMN1; 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-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 MAPT 4477/4885GAA 4179/4885RAB9A 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.