SCHEMBL3055587

SCHEMBL3055587

O=C(NC(C(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1)C1CCCN1)c1cccc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.37
HCRTR2 O43614 8/20 0.37
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MBTD1 Q05BQ5 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK14 Q16539 1/20 0.32
HSD11B1 P28845 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
SCHEMBL3639702 1.00 HCRTR1 (0.37) HCRTR1HCRTR2CCNA2CDK2CCNA1
SCHEMBL3636959 0.98 HCRTR1 (0.37) HCRTR1HCRTR2CCNA2CDK2CCNA1
SCHEMBL3048755 0.98 HCRTR1 (0.37) HCRTR1HCRTR2CCNA2CDK2CCNA1
SCHEMBL3641723 0.91 LMNA (0.41) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3634141 0.91 GRM5 (0.39) HCRTR1HCRTR2CCNA2CDK2CCNA1
SCHEMBL3052335 0.91 GRM5 (0.39) HCRTR1HCRTR2CCNA2CDK2CCNA1
SCHEMBL3038233 0.91 LMNA (0.41) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3053921 0.90 HCRTR1 (0.37) HCRTR1HCRTR2CCNA2CDK2CCNA1
SCHEMBL3641449 0.90 HCRTR1 (0.37) HCRTR1HCRTR2CCNA2CDK2CCNA1
SCHEMBL3053184 0.88 LMNA (0.40) HCRTR1HCRTR2CDK2

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 6 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-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 HCRTR1 2/4885HCRTR2 1/4885CCNA2 2520/4885

“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.