SCHEMBL13047425

SCHEMBL13047425

O=C(Nc1cccc2c(=O)n(CCN3CCOCC3)ccc12)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CASP1 P29466 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
CNR2 P34972 2/20 0.47
MAPK14 Q16539 1/20 0.45
GAA P10253 2/20 0.45
GPR35 Q9HC97 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL13046936 0.86 ALDH1A1 (0.53) KMT2AMEN1LMNAMAPTCNR2
SCHEMBL13047428 0.85 CNR1 (0.53) KDM4EHTTMAPTCNR2GAA
SCHEMBL13046975 0.85 RAB9A (0.49) KMT2ANPC1RAB9AHDAC3HDAC1
SCHEMBL13046929 0.85 HDAC1 (0.45) HDAC3HDAC1HDAC2HTTCNR2
SCHEMBL13047016 0.84 WDR5 (0.47) HDAC3HDAC1HDAC2LMNAMAPK14
SCHEMBL13046985 0.84 ALDH1A1 (0.50) KMT2ANPC1RAB9AKDM4EHTT
SCHEMBL13046754 0.84 GPR35 (0.44) CYP1A2CYP2D6CYP2C19KMT2ANPC1
SCHEMBL13046935 0.84 TSHR (0.55) CYP1A2CYP2D6CYP2C19KMT2ANPC1
SCHEMBL13046941 0.84 MAPT (0.48) KMT2ANPC1RAB9AHDAC1KDM4E
SCHEMBL13046647 0.84 LMNA (0.49) CYP2C19KMT2ANPC1RAB9AKDM4E

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 CYP1A2 1172/4885CYP2D6 1155/4885CYP2C19 1078/4885

“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.