SCHEMBL13047063

SCHEMBL13047063

CC(C)(C)Cn1ccc2c(NC(=O)Cc3ccccc3Cl)cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.53
P2RX7 Q99572 4/20 0.51
PARP14 Q460N5 1/20 0.47
KCNJ5 P48544 3/20 0.47
KCNJ3 P48549 3/20 0.47
KCNQ2 O43526 1/20 0.47
KCNJ6 P48051 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL1591185 0.93 GRM2 (0.53) GRM2P2RX7PARP14KCNJ5KCNJ3
SCHEMBL13046663 0.91 GRM2 (0.51) GRM2P2RX7MAPTKDM4EALDH1A1
SCHEMBL13047060 0.88 ALDH1A1 (0.53) GRM2P2RX7PARP14KDM4EALDH1A1
SCHEMBL13047073 0.88 ALDH1A1 (0.46) GRM2P2RX7KDM4EALDH1A1HPGD
SCHEMBL13047055 0.88 KMT2A (0.53) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13047067 0.85 ALDH1A1 (0.58) GRM2MAPTKDM4EALDH1A1HPGD
SCHEMBL1590436 0.84 GRM2 (0.53) GRM2P2RX7PARP14KCNJ5KCNJ3
SCHEMBL13047047 0.84 ALDH1A1 (0.54) GRM2P2RX7MAPTKDM4EALDH1A1
SCHEMBL1590951 0.84 GRM2 (0.50) GRM2P2RX7MAPTKDM4EALDH1A1
SCHEMBL13047128 0.84 POLB (0.56) GRM2MAPTKDM4EALDH1A1HPGD

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 GRM2 332/4885P2RX7 1/4885PARP14 2099/4885

“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.