SCHEMBL5199369

SCHEMBL5199369

CN1CCC(C2(O)c3ccc(Br)cc3CC2(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
BACE1 P56817 3/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PARP1 P09874 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL14430441 0.90 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1BACE1LMNAPKM
SCHEMBL14430432 0.84 MAPK1 (0.41) SMN1; SMN2MAPK1PARP1HTR2CKMT2A
SCHEMBL14430439 0.83 MAPK1 (0.40) SMN1; SMN2MAPK1NOS3NOS1NOS2
SCHEMBL14430433 0.83 MAPK1 (0.40) SMN1; SMN2MAPK1BACE1KMT2A
SCHEMBL14430428 0.81 DRD1 (0.44) SMN1; SMN2MAPK1PARP1HTR2ACYP2D6
SCHEMBL14441440 0.80 MAPK1 (0.38) SMN1; SMN2MAPK1HTR2AL3MBTL1
SCHEMBL5198166 0.80 MAPK1 (0.59) SMN1; SMN2MAPK1L3MBTL1
SCHEMBL14430457 0.78 MAPK1 (0.36) SMN1; SMN2MAPK1BACE1
SCHEMBL14430620 0.78 MAPK1 (0.35) SMN1; SMN2MAPK1
SCHEMBL14430450 0.77 MAPK1 (0.39) SMN1; SMN2MAPK1L3MBTL1CYP3A4CYP2D6

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 SMN1; SMN2 46/4885MAPK1 664/4885BACE1 18/4885

“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.