SCHEMBL5399533

SCHEMBL5399533

OC1(c2cccc(Br)c2)C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 1/20 0.45
SLC18A3 Q16572 2/20 0.44
P2RY14 Q15391 1/20 0.43
OPRL1 P41146 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL10008510 0.86 FUCA1 (0.56) FUCA1P2RY14OPRL1ALDH1A1POLB
SCHEMBL5402545 0.86 OPRM1 (0.54) FUCA1SIGMAR1P2RY14OPRL1
SCHEMBL30608325 0.85 FUCA1 (0.49) FUCA1SIGMAR1KMT2AP2RY14ALDH1A1
SCHEMBL5742361 0.85 BCHE (0.47) FUCA1P2RY14OPRL1
SCHEMBL5394580 0.85 FUCA1 (0.46) FUCA1P2RY14OPRL1ALDH1A1POLB
SCHEMBL5742358 0.85 FUCA1 (0.46) FUCA1P2RY14OPRL1ALDH1A1POLB
SCHEMBL5401139 0.81 OPRM1 (0.45) SIGMAR1KMT2APOLB
SCHEMBL5409696 0.81 DRD2 (0.50) FUCA1P2RY14
SCHEMBL5406464 0.81 OPRM1 (0.58) KMT2AP2RY14ALDH1A1
SCHEMBL23700157 0.80 FUCA1 (0.43) FUCA1SIGMAR1SLC18A3P2RY14OPRL1

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 2 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
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US 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 3858/4885SIGMAR1 68/4885KMT2A 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.