SCHEMBL5394580

SCHEMBL5394580

Nc1cccc(C2(O)C3CCC2CN(Cc2ccccc2)C3)c1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.46
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
P2RY14 Q15391 1/20 0.43
OPRL1 P41146 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL5403122 0.93 DRD2 (0.46) FUCA1CHRM2CHRM3OPRM1OPRK1
SCHEMBL5409581 0.90 CXCR3 (0.41) OPRM1OPRK1P2RY14OPRL1
SCHEMBL5403262 0.89 KDM4E (0.46) CHRM2CHRM3OPRM1OPRK1ALDH1A1
SCHEMBL5403315 0.88 OPRM1 (0.55) OPRM1OPRK1
SCHEMBL5417261 0.87 OPRL1 (0.44) OPRM1OPRK1OPRL1POLB
SCHEMBL10008510 0.86 FUCA1 (0.56) FUCA1P2RY14OPRL1ALDH1A1POLB
SCHEMBL5402492 0.86 OPRM1 (0.45) CHRM2CHRM3OPRM1OPRK1ALDH1A1
SCHEMBL5407157 0.86 OPRM1 (0.47) CHRM2CHRM3OPRM1OPRK1OPRL1
SCHEMBL5402545 0.86 OPRM1 (0.54) FUCA1CHRM2CHRM3OPRM1OPRK1
SCHEMBL5403628 0.85 SIGMAR1 (0.52) OPRM1OPRK1

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 FUCA1 3858/4885CHRM2 352/4885CHRM3 277/4885

“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.