SCHEMBL20974679

SCHEMBL20974679

CC(C)CCc1ccc(Cl)c(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.43
TAAR1 Q96RJ0 2/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 7/20 0.41
TMEM97 Q5BJF2 7/20 0.41
CSNK2A1 P68400 3/20 0.39
KCNH2 Q12809 5/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36

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
SCHEMBL19553649 0.82 PNMT (0.50) PNMTTAAR1SLC6A2SLC6A3CSNK2A1
SCHEMBL12436727 0.80 SIGMAR1 (0.58) PNMTTAAR1SIGMAR1TMEM97KCNH2
Hydrochloric Acid SCHEMBL11679481 0.78 BACE1 (0.51) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL8847353 0.77 PNMT (0.50) PNMTTAAR1CSNK2A1CSNK2A2CSNK2B
SCHEMBL25823578 0.77 TMEM97 (0.44) PNMTTAAR1SIGMAR1TMEM97KCNH2
SCHEMBL25823349 0.75 TMEM97 (0.43) PNMTTAAR1SIGMAR1TMEM97KCNH2
SCHEMBL27784805 0.74 PNMT (0.44) PNMTTAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL27881760 0.74 PNMT (0.46) PNMTTAAR1SIGMAR1CSNK2A1CSNK2A2
SCHEMBL28038231 0.73 BACE1 (0.33)
SCHEMBL28038236 0.73 BACE1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 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 (2 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 PNMT 1739/4885TAAR1 2235/4885SLC6A2 1438/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 PNMT 1739/4885TAAR1 2235/4885SLC6A2 1438/4885

“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.