SCHEMBL8091471

SCHEMBL8091471

COc1ccc(CC(C)NCCCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 1.00
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
SLC2A1 P11166 1/20 0.62

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
SCHEMBL19469330 1.00 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL21985949 1.00 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL19469329 1.00 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL22043276 1.00 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL22043526 1.00 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1
Hydrochloric Acid SCHEMBL19469327 0.99 SIGMAR1 (0.97) SIGMAR1MEN1KMT2ASLC2A1
Hydrochloric Acid SCHEMBL19469328 0.99 SIGMAR1 (0.97) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL19498794 0.94 SIGMAR1 (0.89) SIGMAR1MEN1KMT2A
SCHEMBL19505478 0.91 SIGMAR1 (0.84) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL3621767 0.91 SIGMAR1 (0.84) SIGMAR1MEN1KMT2ASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200290948-A1 Vesicular Monoamine Transporter-2 Ligands and Their Use in the Treatment of Psychostimulant Abuse UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-09-17 US disclosed
US-20200237688-A1 VESICULAR MONOAMINE TRANSPORTER-2 LIGANDS AND THEIR USE IN THE TREATMENT OF PSYCHOSTIMULANT ABUSE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-07-30 US disclosed
US-10668030-B2 Vesicular monoamine transporter-2 ligands and their use in the treatment of psychostimulant abuse UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2020-06-02 US disclosed
US-20170304227-A1 Vesicular Monoamine Transporter-2 Ligands and Their Use in the Treatment of Psychostimulant Abuse UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-10-26 US disclosed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP disclosed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 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 (4 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-20200290948-A1 Vesicular Monoamine Transporter-2 Ligands and Their Use in the Treatment of Psychostimulant Abuse SLC18A2, SLC6A2, SLC6A3 SIGMAR1 109/4885MEN1 3793/4885KMT2A 1115/4885
US-10668030-B2 Vesicular monoamine transporter-2 ligands and their use in the treatment of psychostimulant abuse SLC18A2, SLC6A2, SLC6A3 SIGMAR1 109/4885MEN1 3793/4885KMT2A 1115/4885
US-20200237688-A1 VESICULAR MONOAMINE TRANSPORTER-2 LIGANDS AND THEIR USE IN THE TREATMENT OF PSYCHOSTIMULANT ABUSE SLC18A2, SLC6A2, SLC6A3 SIGMAR1 109/4885MEN1 3793/4885KMT2A 1115/4885
US-20170304227-A1 Vesicular Monoamine Transporter-2 Ligands and Their Use in the Treatment of Psychostimulant Abuse SLC18A2, SLC6A2, SLC6A3 SIGMAR1 109/4885MEN1 3793/4885KMT2A 1115/4885

“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.