SCHEMBL456122

SCHEMBL456122

CC(C)(C)OC(=O)c1cc2nncn2c(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 8/20 0.34
GABRB3 P28472 8/20 0.34
GABRA5 P31644 7/20 0.34
GABRA1 P14867 7/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ZAP70 P43403 1/20 0.32
SYK P43405 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GABRA3 P34903 6/20 0.32
GABRA2 P47869 6/20 0.32
GABRA6 Q16445 4/20 0.32
GABRA4 P48169 3/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRE P78334 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32

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
SCHEMBL26104805 0.77 GABRA1 (0.37) GABRG2GABRB3GABRA5GABRA1CNR1
SCHEMBL451720 0.77 GABRA1 (0.34) GABRG2GABRB3GABRA5GABRA1CNR1
SCHEMBL452993 0.69 CA9 (0.35) MAPTKMT2A
SCHEMBL21062880 0.68 KDM4E (0.47) MAPTLMNAKMT2A
SCHEMBL14743139 0.67 LMNA (0.40) GABRG2GABRB3GABRA5GABRA1CNR1
SCHEMBL16241555 0.66 S1PR2 (0.40) GABRG2GABRB3GABRA5GABRA1CNR1
SCHEMBL2568941 0.65 NQO2 (0.37) SYK
SCHEMBL38663056 0.63 MAPT (0.35) MAPTLMNAKMT2A
SCHEMBL16099451 0.63 MLLT1 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL454321 0.62 MAOB (0.35) GABRG2GABRB3GABRA5GABRA1CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 GABRG2 516/4885GABRB3 144/4885GABRA5 303/4885

“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.