SCHEMBL5685203

SCHEMBL5685203

NC1(N)OCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
HTR2A P28223 1/20 0.36
KDM1A O60341 2/20 0.35
MAOB P27338 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL7261252 0.74 OPRD1 (0.33) OPRD1SIGMAR1HTR2AKDM1ASLC6A4
SCHEMBL9615977 0.73 SIGMAR1 (0.54) OPRD1SIGMAR1
SCHEMBL28824800 0.73 SIGMAR1 (0.36) OPRD1SIGMAR1SLC6A4
SCHEMBL28600721 0.73 SIGMAR1 (0.40) OPRD1SIGMAR1
SCHEMBL9420013 0.73 SIGMAR1 (0.36) OPRD1SIGMAR1SLC6A4
SCHEMBL25129913 0.73 SIGMAR1 (0.40) OPRD1SIGMAR1SLC6A4
SCHEMBL2619379 0.73 HTR2A (0.41) SIGMAR1HTR2ASLC6A4
SCHEMBL30869312 0.73 HTR2A (0.41) SIGMAR1HTR2ASLC6A4
SCHEMBL28492898 0.71 HTR2A (0.44) OPRD1SIGMAR1HTR2AMAOBSLC6A4
SCHEMBL7912523 0.71 SIGMAR1 (0.36) OPRD1SIGMAR1SLC6A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641730-B1 RECOMBINED MOLECULES AND PREPARATION THEREOF VALENT TECHNOLOGIES LLC (US) 2014-07-30 EP claimed
US-20110312034-A1 Recombined Molecules and Preparation Thereof Valent Technologies 2011-12-22 US claimed
EP-1641730-A1 RECOMBINED MOLECULES AND PREPARATION THEREOF Valent Technologies LLC (US) 2006-04-05 EP claimed
WO-2005016851-A1 RECOMBINED MOLECULES AND PREPARATION THEREOF VALENT TECHNOLOGIES, LLC (US) 2005-02-24 WO claimed
US-20050010029-A1 Recombined molecules and preparation thereof VALENT TECHNOLOGIES LLC 2005-01-13 US claimed
US-10138264-B2 Recombined molecules and preparation thereof VALENT TECHNOLOGIES LLC (US) 2018-11-27 US disclosed
EP-1641730-B1 RECOMBINED MOLECULES AND PREPARATION THEREOF VALENT TECHNOLOGIES LLC (US) 2014-07-30 EP disclosed
US-20110312034-A1 Recombined Molecules and Preparation Thereof Valent Technologies 2011-12-22 US disclosed
EP-1641730-A1 RECOMBINED MOLECULES AND PREPARATION THEREOF Valent Technologies LLC (US) 2006-04-05 EP disclosed
WO-2005016851-A1 RECOMBINED MOLECULES AND PREPARATION THEREOF VALENT TECHNOLOGIES, LLC (US) 2005-02-24 WO disclosed
US-20050010029-A1 Recombined molecules and preparation thereof VALENT TECHNOLOGIES LLC 2005-01-13 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 (2 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-10138264-B2 Recombined molecules and preparation thereof MRPL21, RCE1, FURIN OPRD1 3773/4885SIGMAR1 4521/4885HTR2A 4598/4885
US-20050010029-A1 Recombined molecules and preparation thereof MRPL21, RCE1, FURIN OPRD1 3773/4885SIGMAR1 4521/4885HTR2A 4598/4885

“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.