SCHEMBL5417261

SCHEMBL5417261

Nc1cccc(C2(O)C3CCC2CN(Cc2ccc4ccccc4c2)C3)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.44
ACHE P22303 1/20 0.44
KMT2A Q03164 1/20 0.42
MC4R P32245 1/20 0.42
MC5R P33032 1/20 0.42
PKM P14618 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
MCHR1 Q99705 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.39
FAAH O00519 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 0.87 FUCA1 (0.46) OPRL1OPRM1OPRK1POLB
SCHEMBL5403122 0.85 DRD2 (0.46) OPRM1OPRK1
SCHEMBL5417254 0.85 OPRM1 (0.46) OPRM1OPRK1MCHR1FAAH
SCHEMBL5409581 0.85 CXCR3 (0.41) OPRL1KMT2AOPRM1OPRK1SIGMAR1
SCHEMBL5406342 0.84 DPP4 (0.48) FAAH
SCHEMBL5403262 0.84 KDM4E (0.46) OPRM1OPRK1FAAH
SCHEMBL5402492 0.83 OPRM1 (0.45) KMT2AOPRM1OPRK1SIGMAR1
SCHEMBL5404546 0.83 HTT (0.54) OPRM1OPRK1POLBFAAH
SCHEMBL5399536 0.82 TSHR (0.49) OPRL1ACHEKMT2AOPRM1OPRK1
SCHEMBL5406260 0.80 CXCR3 (0.42) 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 6 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
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US 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 OPRL1 4/4885ACHE 1455/4885KMT2A 1190/4885

“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.