SCHEMBL6166903

SCHEMBL6166903

CCc1cnc(CC)c(NC(C2CC2)C2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.46
NISCH Q9Y2I1 4/20 0.36
ADORA1 P30542 5/20 0.35
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 3/20 0.35
HTR2B P41595 5/20 0.34
HTR2C P28335 4/20 0.32
BCDIN3D Q7Z5W3 1/20 0.31
TMIGD3 P0DMS9 2/20 0.31
TSPO P30536 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
SCHEMBL6166421 0.78 CRHR1 (0.49) CRHR1
SCHEMBL6345411 0.76 TP53 (0.37) CRHR1
SCHEMBL6350199 0.76 TP53 (0.37) CRHR1
SCHEMBL6166430 0.75 CRHR1 (0.38) CRHR1
SCHEMBL6167497 0.74 TLR8 (0.40) CRHR1
SCHEMBL6166412 0.74 KMT2A (0.43) ADORA3
SCHEMBL6168054 0.73 CRHR1 (0.42) CRHR1
SCHEMBL6168593 0.73 CRHR1 (0.46) CRHR1
SCHEMBL6167603 0.73 CRHR1 (0.42) CRHR1
SCHEMBL6165519 0.72 CRHR1 (0.51) CRHR1NISCHADORA1ADORA3ADORA2A

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-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 US disclosed
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 US disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 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-20040053941-A1 Substituted pyrazine derivatives CRHR1, CRHR2, CRH CRHR1 1/4885NISCH 1843/4885ADORA1 113/4885

“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.