SCHEMBL5404546

SCHEMBL5404546

Nc1cccc(C2(O)C3CCC2CN(Cc2ccc4c(c2)Cc2ccccc2-4)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
FAAH O00519 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP17A1 P05093 1/20 0.40
P2RY14 Q15391 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
CXCR3 P49682 2/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5404536 0.86 HTT (0.51) HTTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5394580 0.83 FUCA1 (0.46) ALDH1A1P2RY14CHRM2CHRM3DRD2
SCHEMBL5417261 0.83 OPRL1 (0.44) FAAHPOLBOPRM1OPRK1
SCHEMBL5403122 0.81 DRD2 (0.46) P2RY14CHRM2CHRM3CXCR3DRD2
SCHEMBL5409581 0.81 CXCR3 (0.41) P2RY14CXCR3OPRM1OPRK1
SCHEMBL5406260 0.79 CXCR3 (0.42) ALDH1A1CXCR3
SCHEMBL5403262 0.78 KDM4E (0.46) HTTSMN1; SMN2FAAHALDH1A1KDM4E
SCHEMBL5402492 0.78 OPRM1 (0.45) ALDH1A1CHRM2CHRM3CXCR3OPRM1
SCHEMBL5398078 0.76 OPRM1 (0.42) ALDH1A1LMNAP2RY14CHRM2CHRM3
SCHEMBL5401179 0.76 OPRM1 (0.47) SMN1; SMN2MAPK1CHRM2CHRM3OPRM1

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 HTT 2901/4885NPC1 1180/4885RAB9A 1036/4885

“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.