SCHEMBL424712

SCHEMBL424712

COc1cc(OC)c2nnn(C(=O)N3COCC3(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
F12 P00748 2/20 0.33
PIK3CB P42338 1/20 0.32
HTT P42858 2/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PDE2A O00408 3/20 0.31
PDE6D O43924 3/20 0.31
PDE6A P16499 3/20 0.31
PDE6G P18545 3/20 0.31
PDE6B P35913 3/20 0.31
PDE6C P51160 3/20 0.31
PDE6H Q13956 3/20 0.31
PDE10A Q9Y233 3/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31

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
SCHEMBL425919 0.82 HDAC3 (0.43) CNR2F12HTTFAAHMGLL
SCHEMBL427992 0.82 F12 (0.37) CNR2F12FAAHMGLLGAA
SCHEMBL427660 0.76 CNR2 (0.35) CNR2GAAKDM4ESMN1; SMN2HSD17B10
SCHEMBL424701 0.74 F12 (0.42) F12FAAHMGLLGAAMGAM
SCHEMBL425578 0.72 FAAH (0.47) F12HTTFAAHMGLLGAA
SCHEMBL427663 0.70 FAAH (0.36) CNR2F12FAAHMGLLGAA
SCHEMBL424826 0.70 HCAR3 (0.49)
SCHEMBL444875 0.70 HCAR3 (0.40) FAAHMGLLGAAMGAMAMY1A
SCHEMBL7906239 0.69 KCNMA1 (0.37) CNR2FAAHMGLLGAAKDM4E
SCHEMBL425937 0.68 KCNMA1 (0.51) CNR2HTTSMN1; SMN2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 CNR2 9/4885F12 785/4885PIK3CB 2404/4885

“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.