SCHEMBL5199517

SCHEMBL5199517

Cc1ccc2c(c1)C(O)(C1CCN(C)C1)C(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 2/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
SLC6A3 Q01959 2/20 0.34
KMT2A Q03164 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
POLB P06746 1/20 0.33
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 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
SCHEMBL5199209 0.93 MAPK1 (0.42) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430490 0.92 SLC6A2 (0.37) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430432 0.83 MAPK1 (0.41) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430493 0.82 POLB (0.35) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430477 0.80 MAPK1 (0.47) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL5199965 0.78 KDM1A (0.38) SLC6A2GRIN1GRIN2ASLC6A3KMT2A
SCHEMBL5201301 0.78 MAPK1 (0.41) MAPK1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL14430441 0.78 SMN1; SMN2 (0.41) MAPK1SMN1; SMN2KMT2A
SCHEMBL5199451 0.78 MAPK1 (0.41) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430562 0.77 MAPK1 (0.45) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP 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-20070197594-A1 Cyclic amine derivative or salt thereof GRIN1, PARK7, GRIN3A MAPK1 664/4885SMN1; SMN2 46/4885SLC6A2 339/4885

“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.