SCHEMBL17401016

SCHEMBL17401016

c1cc(-c2cn(CCN3CCCC3)c([C@@H]3CCCN3)n2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 0.44
AKT1 P31749 20/20 0.44

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
SCHEMBL17401022 0.90 RPS6KB1 (0.46) RPS6KB1AKT1
SCHEMBL17401014 0.83 RPS6KB1 (0.42) RPS6KB1AKT1
SCHEMBL17401013 0.82 PDE10A (0.44) RPS6KB1AKT1
SCHEMBL17401024 0.73 TAAR1 (0.44) RPS6KB1AKT1
SCHEMBL17401023 0.73 TAAR1 (0.44) RPS6KB1AKT1
SCHEMBL14782369 0.73 RPS6KB1 (0.64) RPS6KB1AKT1
SCHEMBL15720181 0.72 RPS6KB1 (0.54) RPS6KB1AKT1
SCHEMBL17401018 0.71 RPS6KB1 (0.44) RPS6KB1AKT1
SCHEMBL17401012 0.71 CHRNA7 (0.46) RPS6KB1AKT1
SCHEMBL14782551 0.70 RPS6KB1 (0.60) RPS6KB1AKT1

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
US-9868758-B2 Betulinic proline imidazole derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2018-01-16 US disclosed
US-9868758-B2 Betulinic proline imidazole derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2018-01-16 US disclosed
US-20170129917-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2017-05-11 US disclosed
US-20170129917-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2017-05-11 US disclosed
WO-2016001820-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2016-01-07 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-20170129917-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, IMPA1 RPS6KB1 2544/4885AKT1 3412/4885

“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.