SCHEMBL5401152

SCHEMBL5401152

COc1ccc(CN2CC3CCC(C2)C3=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.53
SIGMAR1 Q99720 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GRM2 Q14416 1/20 0.48
PTGIR P43119 1/20 0.48
DRD4 P21917 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TACR1 P25103 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL1920307 0.84 CMA1 (0.53) CMA1SIGMAR1SMN1; SMN2GSK3AGSK3B
SCHEMBL1920302 0.84 CMA1 (0.53) CMA1SIGMAR1SMN1; SMN2GSK3AGSK3B
SCHEMBL733605 0.84 CMA1 (0.53) CMA1SIGMAR1SMN1; SMN2GSK3AGSK3B
SCHEMBL1920304 0.84 CMA1 (0.53) CMA1SIGMAR1SMN1; SMN2GSK3AGSK3B
SCHEMBL18205232 0.81 SIGMAR1 (0.57) CMA1SIGMAR1SMN1; SMN2KDM4EPTGIR
SCHEMBL2916777 0.78 DRD4 (0.57) CMA1SIGMAR1SMN1; SMN2KDM4EPTGIR
SCHEMBL2918073 0.78 SIGMAR1 (0.57) CMA1SIGMAR1SMN1; SMN2KDM4EPTGIR
SCHEMBL19518531 0.78 FUCA1 (0.55) SIGMAR1
SCHEMBL30875889 0.78 FUCA1 (0.55) SIGMAR1
SCHEMBL20417932 0.78 FUCA1 (0.55) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241887-B2 3-azabicyclo[3.2.1]octane derivatives PFIZER INC (US) 2007-07-10 US disclosed
EP-1615894-A2 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES Pfizer Products Inc. (US) 2006-01-18 EP disclosed
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US disclosed
WO-2004089908-A2 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-10-21 WO 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-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives OPRD1, OPRK1, OPRM1 CMA1 3507/4885SIGMAR1 68/4885SMN1; SMN2 3557/4885

“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.