SCHEMBL2799729

SCHEMBL2799729

Cc1ccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PIK3CA P42336 1/20 0.35
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.32
TRPC3 Q13507 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
MAPK8 P45983 2/20 0.32
HCRTR2 O43614 8/20 0.32
HCRTR1 O43613 4/20 0.32
PTGS2 P35354 1/20 0.32
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL1339841 0.89 PTGS1 (0.41) PIK3CAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3417285 0.87 HCRTR2 (0.41) PIK3CAMAPK8HCRTR2HCRTR1
SCHEMBL3411958 0.87 HCRTR2 (0.41) PIK3CAMAPK8HCRTR2HCRTR1
SCHEMBL3417284 0.87 HCRTR2 (0.41) PIK3CAMAPK8HCRTR2HCRTR1
SCHEMBL3412360 0.87 HCRTR2 (0.41) PIK3CAMAPK8HCRTR2HCRTR1
SCHEMBL2800495 0.84 POLB (0.34) POLBHCRTR2HCRTR1PTGS2
SCHEMBL3412456 0.83 HCRTR1 (0.39) POLBPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL1340215 0.83 HCRTR2 (0.33) POLBMAOBMAPK8HCRTR2HCRTR1
SCHEMBL2930954 0.81 POLB (0.39) POLBPIK3CAHCRTR2HCRTR1
SCHEMBL2927512 0.81 CYP46A1 (0.41) POLBPIK3CAHCRTR2HCRTR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP claimed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO claimed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 POLB 3512/4885PIK3CA 2620/4885MAOB 246/4885

“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.