SCHEMBL5200044

SCHEMBL5200044

CN1CCC(C2(O)c3ccccc3CCC2(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
KDM1A O60341 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SRD5A1 P18405 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 3/20 0.40

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
SCHEMBL14430479 0.92 MAPK1 (0.61) MAPK1SMN1; SMN2KDM1AL3MBTL1SRD5A1
SCHEMBL14430489 0.86 MAPK1 (0.61) MAPK1SMN1; SMN2KDM1AL3MBTL1SRD5A1
SCHEMBL5198166 0.85 MAPK1 (0.59) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL14430492 0.84 MAPK1 (0.44) MAPK1SMN1; SMN2KDM1ASRD5A1ALDH1A1
SCHEMBL14430488 0.83 MAPK1 (0.58) MAPK1SMN1; SMN2KDM1AL3MBTL1CHRM2
SCHEMBL14430477 0.83 MAPK1 (0.47) MAPK1SMN1; SMN2KDM1AL3MBTL1SRD5A1
SCHEMBL14430366 0.82 L3MBTL1 (0.45) MAPK1SMN1; SMN2KDM1AL3MBTL1CHRM4
SCHEMBL14430478 0.82 ALDH1A1 (0.43) MAPK1SMN1; SMN2SRD5A1ALDH1A1SIGMAR1
SCHEMBL14430474 0.80 MAPK1 (0.45) MAPK1SMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL14430497 0.79 MAPK1 (0.56) MAPK1SMN1; SMN2KDM1AL3MBTL1SRD5A1

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
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

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 46/4885KDM1A 2804/4885

“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.