SCHEMBL5403122

SCHEMBL5403122

Nc1cccc(C2(O)C3CCC2CN(Cc2ccc(-c4ccccc4)cc2)C3)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
P2RY14 Q15391 1/20 0.44
CYP2D6 P10635 1/20 0.42
S1PR5 Q9H228 2/20 0.40
CXCR3 P49682 1/20 0.40
KCNH2 Q12809 1/20 0.39
FUCA1 P04066 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL5394580 0.93 FUCA1 (0.46) DRD2DRD4P2RY14FUCA1CHRM2
SCHEMBL5409581 0.88 CXCR3 (0.41) P2RY14S1PR5CXCR3OPRM1OPRK1
SCHEMBL5417261 0.85 OPRL1 (0.44) OPRM1OPRK1
SCHEMBL5403119 0.84 OPRM1 (0.52) DRD2DRD4P2RY14S1PR5CXCR3
SCHEMBL5402492 0.84 OPRM1 (0.45) CXCR3CHRM2CHRM3OPRM1OPRK1
SCHEMBL5406260 0.83 CXCR3 (0.42) CXCR3S1PR1
SCHEMBL5403262 0.82 KDM4E (0.46) CHRM2CHRM3OPRM1OPRK1
SCHEMBL5404546 0.81 HTT (0.54) DRD2P2RY14CXCR3CHRM2CHRM3
SCHEMBL5403315 0.81 OPRM1 (0.55) OPRM1OPRK1
SCHEMBL5398078 0.81 OPRM1 (0.42) P2RY14CXCR3CHRM2CHRM3OPRM1

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-7241887-B2 3-azabicyclo[3.2.1]octane derivatives PFIZER INC (US) 2007-07-10 US claimed
EP-1615894-A2 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES Pfizer Products Inc. (US) 2006-01-18 EP claimed
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US claimed
WO-2004089908-A2 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-10-21 WO claimed
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 DRD2 35/4885DRD4 129/4885P2RY14 1196/4885

“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.