SCHEMBL3040044

SCHEMBL3040044

Cc1ccc(-c2sc(C3CC3)nc2C(=O)C(NC(=O)c2cccc(C)c2)C2CCCCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL3361393 1.00 LMNA (0.42) LMNAHCRTR1HCRTR2NPC1RAB9A
SCHEMBL3053184 0.94 LMNA (0.40) LMNAHCRTR1HCRTR2NPC1RAB9A
SCHEMBL3638225 0.94 LMNA (0.40) LMNAHCRTR1HCRTR2NPC1RAB9A
SCHEMBL3643673 0.93 HCRTR1 (0.37) LMNAHCRTR1HCRTR2NPC1RAB9A
SCHEMBL3641449 0.93 HCRTR1 (0.37) LMNAHCRTR1HCRTR2MAPT
SCHEMBL3050206 0.93 HCRTR1 (0.37) LMNAHCRTR1HCRTR2NPC1RAB9A
SCHEMBL3053921 0.93 HCRTR1 (0.37) LMNAHCRTR1HCRTR2MAPT
SCHEMBL3641723 0.92 LMNA (0.41) LMNAHCRTR1HCRTR2UBE2MDCUN1D1
SCHEMBL3038233 0.92 LMNA (0.41) LMNAHCRTR1HCRTR2UBE2MDCUN1D1
SCHEMBL3053747 0.91 LMNA (0.40) LMNAHCRTR1HCRTR2

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 8 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
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
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 LMNA 4112/4885HCRTR1 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.