SCHEMBL22047432

SCHEMBL22047432

CC(C)N1CCC[C@@](C)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
ADORA2A P29274 2/20 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
SCHEMBL11953293 1.00 CYP2D6 (0.33) CYP2D6ADORA2A
SCHEMBL23265542 0.86 CYP2D6 (0.39) CYP2D6
SCHEMBL2738324 0.86 CYP2D6 (0.39) CYP2D6
SCHEMBL25004839 0.86 CYP2D6 (0.39) CYP2D6
SCHEMBL2739922 0.82 HSD11B1 (0.34) CYP2D6ADORA2A
SCHEMBL4473518 0.77 LIPE (0.33) CYP2D6
SCHEMBL24317895 0.77
SCHEMBL12030637 0.76
SCHEMBL23265545 0.75
SCHEMBL14524120 0.75 HRH3 (0.36) CYP2D6

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-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2023-01-19 US disclosed
US-11071730-B2 Substituted 6-azabenzimidazole compounds GILEAD SCIENCES, INC. (US) 2021-07-27 US disclosed
US-20200171020-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2020-06-04 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 (3 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-11071730-B2 Substituted 6-azabenzimidazole compounds CDK6, HIPK1, DCK CYP2D6 1807/4885ADORA2A 2255/4885
US-20200171020-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK CYP2D6 1807/4885ADORA2A 2255/4885
US-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK CYP2D6 1807/4885ADORA2A 2255/4885

“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.