SCHEMBL7330933

SCHEMBL7330933

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.49
HCRTR2 O43614 7/20 0.49
PTGES O14684 2/20 0.46

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
SCHEMBL7329171 1.00 HCRTR1 (0.49) HCRTR1HCRTR2PTGES
SCHEMBL7329173 1.00 HCRTR1 (0.49) HCRTR1HCRTR2PTGES
SCHEMBL23247964 0.97 RAB9A (0.47) HCRTR1HCRTR2
SCHEMBL28152181 0.97 RAB9A (0.47) HCRTR1HCRTR2
SCHEMBL204876 0.87 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL12509692 0.87 HCRTR1 (0.46) HCRTR1HCRTR2PTGES
SCHEMBL14985689 0.87 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2707183 0.87 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL28590669 0.87 USP30 (0.58) HCRTR1HCRTR2
SCHEMBL19400821 0.87 PRCP (0.52) HCRTR1HCRTR2

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 14 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
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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (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
WO-2016001820-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2016-01-07 WO disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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 HCRTR1 3869/4885HCRTR2 4436/4885PTGES 622/4885
US-20170129917-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, IMPA1 HCRTR1 3945/4885HCRTR2 4460/4885PTGES 712/4885

“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.