SCHEMBL3043152

SCHEMBL3043152

Cc1nc2sccn2c1C(=O)NCC1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.43
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM1A O60341 1/20 0.41
OPRD1 P41143 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
PDE8B O95263 1/20 0.39
PRMT5 O14744 1/20 0.38

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
SCHEMBL3043148 1.00 METTL3 (0.43) METTL3HCRTR1HCRTR2MAPK1KDM1A
SCHEMBL4739206 0.97 MAPK1 (0.43) METTL3HCRTR1HCRTR2MAPK1OPRD1
SCHEMBL4739213 0.97 MAPK1 (0.43) METTL3HCRTR1HCRTR2MAPK1OPRD1
SCHEMBL1398781 0.94 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1
SCHEMBL1398784 0.83 HCRTR1 (0.55) METTL3HCRTR1HCRTR2MAPK1OPRD1
SCHEMBL923725 0.81 HCRTR1 (0.50) HCRTR1HCRTR2MAPK1
SCHEMBL2447646 0.81 HCRTR1 (0.45) HCRTR1HCRTR2MAPK1
SCHEMBL496234 0.81 HCRTR1 (0.45) HCRTR1HCRTR2MAPK1
SCHEMBL1571300 0.80 HCRTR1 (0.58) HCRTR1HCRTR2MAPK1
SCHEMBL3415424 0.79 HCRTR1 (0.54) HCRTR1HCRTR2MAPK1

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 5 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
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
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 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 METTL3 4033/4885HCRTR1 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.