SCHEMBL15848554

SCHEMBL15848554

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccnc2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.54
▸ PRCP P42785 6/20 0.51
▸ HCRTR1 O43613 3/20 0.49
▸ HCRTR2 O43614 3/20 0.49
▸ KIT P10721 1/20 0.49
▸ NR1I2 O75469 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL15848553 1.00 HPGDS (0.54) HPGDSPRCPHCRTR1HCRTR2KIT
SCHEMBL15277177 0.90 HPGDS (0.62) HPGDSPRCPHCRTR1HCRTR2NR1I2
SCHEMBL4957215 0.90 HPGDS (0.62) HPGDSPRCPHCRTR1HCRTR2NR1I2
SCHEMBL4957220 0.90 HPGDS (0.62) HPGDSPRCPHCRTR1HCRTR2NR1I2
SCHEMBL12302156 0.89 CYP3A4 (0.52) HPGDSPRCPHCRTR1HCRTR2NR1I2
SCHEMBL2706110 0.88 CYP3A4 (0.58) HPGDSPRCPHCRTR1HCRTR2NR1I2
SCHEMBL883084 0.88 PRCP (0.58) HPGDSPRCPHCRTR1HCRTR2NR1I2
SCHEMBL10145019 0.88 PRCP (0.64) HPGDSPRCPHCRTR1HCRTR2NR1I2
SCHEMBL12158439 0.88 PRCP (0.58) HPGDSPRCPHCRTR1HCRTR2NR1I2
SCHEMBL725968 0.88 PRCP (0.64) HPGDSPRCPHCRTR1HCRTR2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 — — US disclosed
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 — — 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-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 (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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP HPGDS 297/4885PRCP 501/4885HCRTR1 3869/4885
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PELP1 HPGDS 283/4885PRCP 372/4885HCRTR1 3501/4885

“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.

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