SCHEMBL13047059

SCHEMBL13047059

CC(C)(C)Cn1ccc2c(NC(=O)c3ccc4ccccc4c3)cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
GPR35 Q9HC97 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
NR1H4 Q96RI1 3/20 0.45
CNR2 P34972 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.44
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 1/20 0.43
DHODH Q02127 1/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL1590543 0.93 NPC1 (0.48) NPC1RAB9AGPR35GPR55NR1H4
SCHEMBL13047049 0.85 KMT2A (0.52) NPC1RAB9AGPR35CNR2LMNA
SCHEMBL13047451 0.85 RAB9A (0.53) NPC1RAB9ANR1H4LMNAGAA
SCHEMBL13047125 0.84 MEN1 (0.42) RAB9ALMNAGAAKMT2AKDM4E
SCHEMBL13047534 0.84 TP53 (0.55) NPC1RAB9AGPR35GPR55NR1H4
SCHEMBL1590398 0.84 NPC1 (0.48) NPC1RAB9AGPR35GPR55NR1H4
SCHEMBL13047054 0.84 MAPT (0.46) NPC1RAB9ACNR2LMNAGAA
SCHEMBL13046666 0.84 TAS1R3 (0.46) CNR2LMNAKMT2AALDH1A1HPGD
SCHEMBL13047109 0.84 NPC1 (0.47) NPC1RAB9ACNR2LMNAKMT2A
SCHEMBL13046859 0.84 HTR6 (0.48) NPC1RAB9AGPR35GPR55NR1H4

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 NPC1 2233/4885RAB9A 3422/4885GPR35 73/4885

“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.