SCHEMBL3043816

SCHEMBL3043816

Cc1ccc(-c2sc(C3CC3)nc2C(=O)C(NC(=O)OC(C)(C)C)C2CCCCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL3361887 0.93 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL3363371 0.90 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL3365575 0.86 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL3638060 0.85 PTPRB (0.36) HCRTR1HCRTR2
SCHEMBL3361282 0.85 PTPRB (0.36) HCRTR1HCRTR2
SCHEMBL3055330 0.85 SCN9A (0.34) HCRTR1HCRTR2
SCHEMBL3640420 0.85 SCN9A (0.34) HCRTR1HCRTR2
SCHEMBL3002225 0.82 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL3361393 0.82 LMNA (0.42) HCRTR1HCRTR2
SCHEMBL3040044 0.82 LMNA (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155739-B1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP disclosed
US-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US 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-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885AAK1 2284/4885

“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.