SCHEMBL5199209

SCHEMBL5199209

Cc1ccc2c(c1)C(O)(C1CCN(C)CC1)C(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
KMT2A Q03164 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.33
QDPR P09417 1/20 0.33
HTR2C P28335 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR2A P28223 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
SCHEMBL5199517 0.93 MAPK1 (0.40) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430432 0.90 MAPK1 (0.41) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430493 0.88 POLB (0.35) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430477 0.86 MAPK1 (0.47) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430490 0.85 SLC6A2 (0.37) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL5201301 0.84 MAPK1 (0.41) MAPK1SMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL14430441 0.84 SMN1; SMN2 (0.41) MAPK1SMN1; SMN2KMT2ACYP2D6CYP3A4
SCHEMBL5199965 0.84 KDM1A (0.38) SLC6A2GRIN1GRIN2AKMT2APOLB
SCHEMBL5199451 0.84 MAPK1 (0.41) MAPK1SMN1; SMN2SLC6A2GRIN1GRIN2A
SCHEMBL14430562 0.83 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 6 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 claimed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP claimed
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

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.