SCHEMBL5409581

SCHEMBL5409581

Nc1cccc(C2(O)C3CCC2CN(Cc2ccc(Cl)cc2)C3)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.41
GAA P10253 1/20 0.38
OPRL1 P41146 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CCR3 P51677 1/20 0.38
GBA1 P04062 1/20 0.37
DPP4 P27487 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR5 Q9H228 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CXCR4 P61073 1/20 0.36
P2RY14 Q15391 1/20 0.36

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 0.90 FUCA1 (0.46) OPRL1OPRM1OPRK1P2RY14
SCHEMBL5403122 0.88 DRD2 (0.46) CXCR3OPRM1OPRK1S1PR5P2RY14
SCHEMBL5402492 0.86 OPRM1 (0.45) CXCR3OPRM1OPRK1MEN1KMT2A
SCHEMBL5406260 0.85 CXCR3 (0.42) CXCR3SIGMAR1
SCHEMBL5417261 0.85 OPRL1 (0.44) OPRL1OPRM1OPRK1KMT2ASIGMAR1
SCHEMBL5409573 0.84 OPRM1 (0.50) CXCR3GAAOPRM1OPRD1OPRK1
SCHEMBL5398078 0.82 OPRM1 (0.42) CXCR3OPRM1OPRD1OPRK1MEN1
SCHEMBL5407157 0.81 OPRM1 (0.47) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL5404546 0.81 HTT (0.54) CXCR3OPRM1OPRK1P2RY14
SCHEMBL5403262 0.80 KDM4E (0.46) GAAOPRM1OPRK1

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-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
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 CXCR3 608/4885GAA 2304/4885OPRL1 4/4885

“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.