SCHEMBL15058355

SCHEMBL15058355

Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc2ncc(Cl)cn2)c(-c2ccccc2)s1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.77
HCRTR1 O43613 18/20 0.59
HCRTR2 O43614 8/20 0.54

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
SCHEMBL15058357 1.00 CYP3A4 (0.77) CYP3A4HCRTR1HCRTR2
SCHEMBL15058407 0.91 CYP3A4 (0.71) CYP3A4HCRTR1HCRTR2
SCHEMBL15058405 0.91 CYP3A4 (0.71) CYP3A4HCRTR1HCRTR2
SCHEMBL15058031 0.87 CYP3A4 (1.00) CYP3A4HCRTR1HCRTR2
SCHEMBL15058032 0.87 CYP3A4 (1.00) CYP3A4HCRTR1HCRTR2
SCHEMBL934650 0.86 CYP3A4 (0.69) CYP3A4HCRTR1HCRTR2
SCHEMBL934652 0.86 CYP3A4 (0.69) CYP3A4HCRTR1HCRTR2
SCHEMBL934699 0.84 CYP3A4 (0.62) CYP3A4HCRTR1HCRTR2
SCHEMBL935121 0.84 CYP3A4 (0.62) CYP3A4HCRTR1HCRTR2
SCHEMBL934698 0.84 CYP3A4 (0.62) CYP3A4HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP claimed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US claimed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US claimed
EP-2794593-A1 CHEMICAL COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2014-10-29 EP claimed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 WO claimed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
EP-2794593-A1 CHEMICAL COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2014-10-29 EP disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 WO disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 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-20140357653-A1 CHEMICAL COMPOUNDS HCRTR2, HCRTR1, NPY1R CYP3A4 1477/4885HCRTR1 2/4885HCRTR2 1/4885

“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.