SCHEMBL5742874

SCHEMBL5742874

CC#Cc1cncc(C#CC)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
CYP2A6 P11509 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 2/20 0.36
PARP1 P09874 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
BACE1 P56817 2/20 0.34
APP P05067 1/20 0.34
KCNH2 Q12809 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL15957833 0.95 GRM5 (0.40) GRM5CYP2A6PRMT5WDR77
SCHEMBL31014462 0.89 GRM5 (0.51) GRM5CYP2A6PRMT5WDR77
SCHEMBL31014678 0.87 GRM5 (0.34) GRM5CYP2A6PRMT5WDR77BACE1
SCHEMBL14903886 0.85 GRM5 (0.51) GRM5CYP2A6PRMT5WDR77EGLN1
SCHEMBL15996479 0.85 APP (0.32) GRM5CYP2A6PRMT5WDR77BACE1
SCHEMBL15999715 0.85 GRM5 (0.51) GRM5CYP2A6
SCHEMBL23181491 0.84 PRMT5 (0.33) GRM5CYP2A6PRMT5WDR77CYP1A1
SCHEMBL931245 0.84 GRM5 (0.51) GRM5CYP2A6PRMT5WDR77PARP1
SCHEMBL12938287 0.84 GRM5 (0.39) GRM5CYP2A6PRMT5WDR77BACE1
SCHEMBL12827266 0.84 PRMT5 (0.33) GRM5CYP2A6PRMT5WDR77CYP1A1

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
EP-1368317-B1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2006-12-27 EP disclosed
US-7060716-B2 Compound containing two triple bonds ALTANA PHARMA AG (DE) 2006-06-13 US disclosed
US-20040067943-A1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2004-04-08 US disclosed
EP-1368317-A1 TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-12-10 EP disclosed
WO-2002066430-A1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2002-08-29 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-20040067943-A1 Tryptase inhibitors TPSB2, TPSAB1, TPSG1 GRM5 2829/4885CYP2A6 992/4885PRMT5 3876/4885

“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.