SCHEMBL7764187

SCHEMBL7764187

CNC(C)CC1=CCCC=C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.38
SLC18A2 Q05940 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SLC6A4 P31645 3/20 0.34
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL22202981 0.81 SIGMAR1 (0.42) SIGMAR1SLC6A4
SCHEMBL25893969 0.79
SCHEMBL13272376 0.76 TSHR (0.31)
SCHEMBL8973472 0.76 TAAR1 (0.34) TAAR1SIGMAR1SLC6A4SLC6A2SLC6A3
SCHEMBL26077857 0.76 TAAR1 (0.34) TAAR1SIGMAR1SLC6A4SLC6A2SLC6A3
SCHEMBL27805189 0.76
SCHEMBL27044676 0.75
SCHEMBL12848593 0.75 ABCB1 (0.30)
SCHEMBL12153681 0.74 APAF1 (0.33)
SCHEMBL23869542 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550201-B2 Antibody-nanoparticle conjugates for the treatment of drug abuse BIOVENTURES, LLC (US) 2020-02-04 US disclosed
US-20160030593-A1 ANTIBODY-NANOPARTICLE CONJUGATES FOR THE TREATMENT OF DRUG ABUSE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-02-04 US disclosed
WO-2014160075-A1 ANTIBODY-NANOPARTICLE CONJUGATES FOR THE TREATMENT OF DRUG ABUSE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2014-10-02 WO disclosed
WO-2001081424-A1 MONOCLONAL ANTIBODY ANTAGONISTS FOR TREATING MEDICAL PROBLEMS ASSOCIATED WITH D-AMPHETAMINE-LIKE DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2001-11-01 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 (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-10550201-B2 Antibody-nanoparticle conjugates for the treatment of drug abuse CES2, SLC6A3, OPRM1 TAAR1 209/4885SLC18A2 45/4885SIGMAR1 109/4885
US-20160030593-A1 ANTIBODY-NANOPARTICLE CONJUGATES FOR THE TREATMENT OF DRUG ABUSE CES2, SLC6A3, OPRM1 TAAR1 209/4885SLC18A2 45/4885SIGMAR1 109/4885

“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.