SCHEMBL5199451

SCHEMBL5199451

CN1CCC(C2(O)c3cc(Cl)ccc3CC2(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL14430439 0.90 MAPK1 (0.40) MAPK1SMN1; SMN2HRH4HRH3GRIN2D
SCHEMBL5199209 0.84 MAPK1 (0.42) MAPK1SMN1; SMN2HRH4GRIN1GRIN2A
SCHEMBL14430450 0.84 MAPK1 (0.39) MAPK1SMN1; SMN2HRH4HRH3SLC6A2
SCHEMBL5201301 0.83 MAPK1 (0.41) MAPK1SMN1; SMN2KMT2ASRD5A1
SCHEMBL14430441 0.83 SMN1; SMN2 (0.41) MAPK1SMN1; SMN2KMT2ANOS3NOS1
SCHEMBL5198166 0.81 MAPK1 (0.59) MAPK1SMN1; SMN2
SCHEMBL14430436 0.81 SMN1; SMN2 (0.40) MAPK1SMN1; SMN2DRD2HTR2AHTR2C
SCHEMBL14430427 0.81 DRD2 (0.42) MAPK1SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL14430453 0.80 MAPK1 (0.36) MAPK1SMN1; SMN2
SCHEMBL5198192 0.80 MAPK1 (0.36) MAPK1SMN1; SMN2HTR2AHTR2C

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 8 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
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP disclosed
US-4351838-A Indane derivatives, process for their preparation, their use as pharmaceuticals and pharmaceutical compositions containing said derivatives SANDOZ LTD. (CH) 1982-09-28 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-20070197594-A1 Cyclic amine derivative or salt thereof GRIN1, PARK7, GRIN3A MAPK1 664/4885SMN1; SMN2 46/4885HRH4 303/4885

“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.