SCHEMBL3052335

SCHEMBL3052335

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.39
IDO1 P14902 2/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
TDP2 O95551 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3634141 1.00 GRM5 (0.39) GRM5IDO1HCRTR1HCRTR2CCNA2
SCHEMBL3640687 0.98 GRM5 (0.38) GRM5IDO1HCRTR1HCRTR2CCNA2
SCHEMBL3047468 0.98 GRM5 (0.38) GRM5IDO1HCRTR1HCRTR2CCNA2
SCHEMBL3038233 0.91 LMNA (0.41) HCRTR1HCRTR2L3MBTL1
SCHEMBL3641723 0.91 LMNA (0.41) HCRTR1HCRTR2L3MBTL1
SCHEMBL3055587 0.91 HCRTR1 (0.37) HCRTR1HCRTR2CCNA2CDK2CCNA1
SCHEMBL3639702 0.91 HCRTR1 (0.37) HCRTR1HCRTR2CCNA2CDK2CCNA1
SCHEMBL3050206 0.90 HCRTR1 (0.37) GRM5HCRTR1HCRTR2CCNA2CDK2
SCHEMBL3643673 0.90 HCRTR1 (0.37) GRM5HCRTR1HCRTR2CCNA2CDK2
SCHEMBL3048808 0.90 L3MBTL1 (0.37) CCNA2CDK2CCNA1L3MBTL1

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 GRM5 400/4885IDO1 619/4885HCRTR1 2/4885

“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.