SCHEMBL17326271

SCHEMBL17326271

CC(C)C1Cc2nc[nH]c2CN1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
PNMT P11086 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1A P35348 4/20 0.33
ADRA1D P25100 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
SCHEMBL17133018 0.77 ADRA1A (0.36) ADRA2APNMTADRA2BADRA2CADRA1A
SCHEMBL12082249 0.77 ADRA1A (0.36) ADRA2APNMTADRA2BADRA2CADRA1A
SCHEMBL8182953 0.76 ADRA1A (0.33) ADRA1A
SCHEMBL18371506 0.72 ADRA1A (0.33) ADRA1AADRA1D
SCHEMBL8182948 0.69 ADRA1A (0.33) ADRA1A
SCHEMBL10544179 0.68 EGLN1 (0.46) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL24317432 0.67 ADRA2A (0.45) ADRA2APNMTADRA2BADRA2C
Hydrochloric Acid SCHEMBL2944841 0.67 EGLN1 (0.44) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL27419159 0.66 ADRA2A (0.35) ADRA2APNMTADRA2BADRA2C
SCHEMBL4004122 0.66 ADRA1A (0.39) ADRA2APNMTADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353559-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-10 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-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ADRA2A 222/4885PNMT 1400/4885ADRA2B 405/4885

“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.