SCHEMBL425997

SCHEMBL425997

CC(C)(O)C#Cc1cccc(-c2cn(C(=O)N3COCC3(C)C)cn2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37
MAP3K14 Q99558 9/20 0.36
HAO1 Q9UJM8 1/20 0.34
LMNA P02545 1/20 0.32
RIPK1 Q13546 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
ALK Q9UM73 1/20 0.31
TNIK Q9UKE5 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
SCHEMBL464499 0.84 NR4A2 (0.34) GRM5
SCHEMBL7898244 0.81 KMO (0.38)
SCHEMBL427485 0.81 FAAH (0.38) GRM5
SCHEMBL427643 0.81 HSD17B1 (0.37) PIK3R1
SCHEMBL425743 0.81 FAAH (0.43) GRM5
SCHEMBL425899 0.80 CNR2 (0.34) GRM5RIPK1
SCHEMBL427956 0.79 TP53 (0.39)
SCHEMBL427770 0.78 FYN (0.38) MAP3K14PIK3CDPIK3R1
SCHEMBL425714 0.77 CYP2A6 (0.46)
SCHEMBL427975 0.76 CYP11B1 (0.37)

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 3 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

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 GRM5 958/4885MAP3K14 4012/4885HAO1 690/4885

“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.