SCHEMBL3045126

SCHEMBL3045126

NC(=O)C1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
HCRTR1 O43613 10/20 0.43
HCRTR2 O43614 10/20 0.43
TSPO P30536 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CNR2 P34972 3/20 0.41
SCN9A Q15858 1/20 0.41
PDK2 Q15119 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
PIK3CG P48736 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
SCHEMBL3052368 0.86 HCRTR1 (0.51) HCRTR1HCRTR2CNR2SCN9A
SCHEMBL3038242 0.85 HCRTR1 (0.50) HCRTR1HCRTR2TSPOOPRK1HTR2B
Hydrochloric Acid SCHEMBL3052774 0.85 HCRTR1 (0.49) HCRTR1HCRTR2TSPOOPRK1HTR2B
Hydrochloric Acid SCHEMBL3052770 0.85 HCRTR1 (0.49) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3053180 0.84 HCRTR1 (0.52) HCRTR1HCRTR2CNR2SCN9A
SCHEMBL3038243 0.81 HCRTR1 (0.55) HCRTR1HCRTR2SCN9A
SCHEMBL3047100 0.81 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3053159 0.81 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL27801755 0.81 HCRTR1 (0.53) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3056082 0.81 HCRTR1 (0.46) HCRTR1HCRTR2CNR2SCN9A

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 4 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

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 PIK3CD 4709/4885PIK3CA 4675/4885HCRTR1 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.