SCHEMBL3048804

SCHEMBL3048804

O=C(NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.48
HCRTR2 O43614 18/20 0.48
DPP4 P27487 1/20 0.43

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
SCHEMBL3048807 1.00 HCRTR1 (0.48) HCRTR1HCRTR2DPP4
SCHEMBL3038220 0.95 HCRTR1 (0.46) HCRTR1HCRTR2DPP4
SCHEMBL3038216 0.95 HCRTR1 (0.46) HCRTR1HCRTR2DPP4
SCHEMBL3056052 0.95 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3053113 0.95 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3053115 0.95 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3056049 0.95 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3052414 0.93 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3052416 0.93 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3047465 0.92 HCRTR1 (0.56) 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 10 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 claimed
US-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US claimed
CN-101711247-A 2-cyclopropyl-thiazole derivatives ACTELION PHARMACEUTICALS LTD 2010-05-19 CN claimed
EP-2155739-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-02-24 EP claimed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO claimed
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
CN-101711247-A 2-cyclopropyl-thiazole derivatives ACTELION PHARMACEUTICALS LTD 2010-05-19 CN disclosed
EP-2155739-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-02-24 EP disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 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-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885DPP4 1706/4885

“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.