SCHEMBL15848655

SCHEMBL15848655

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2cccnc2)no1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.60
GRM5 P41594 15/20 0.54
PPARA Q07869 1/20 0.52

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
SCHEMBL15848653 1.00 HCRTR2 (0.60) HCRTR2GRM5PPARA
SCHEMBL4954639 0.89 HCRTR1 (0.56) HCRTR2GRM5
SCHEMBL4954645 0.89 HCRTR1 (0.56) HCRTR2GRM5
SCHEMBL14153767 0.86 GRM5 (0.54) HCRTR2GRM5
SCHEMBL1990400 0.86 CPT1A (0.59) GRM5
SCHEMBL1990398 0.86 CPT1A (0.59) GRM5
SCHEMBL2275501 0.85 SCD (0.50) HCRTR2GRM5
SCHEMBL2275503 0.85 SCD (0.50) HCRTR2GRM5
SCHEMBL192547 0.85 PPARA (0.58) GRM5PPARA
SCHEMBL192546 0.85 PPARA (0.58) GRM5PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 US disclosed
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 US disclosed
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 US disclosed
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-11-26 US disclosed
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-11-26 US disclosed
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-11-26 US disclosed
WO-2014105926-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2014-07-03 WO disclosed
WO-2014105926-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2014-07-03 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-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PELP1 HCRTR2 4230/4885GRM5 1900/4885PPARA 2424/4885

“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.