SCHEMBL19505656

SCHEMBL19505656

COc1ccc(CCC(C)NCCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.88
SMN1; SMN2 Q16637 1/20 0.88
OPRK1 P41145 1/20 0.68
SIGMAR1 Q99720 3/20 0.66
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
POLB P06746 1/20 0.59
MAPK1 P28482 2/20 0.59
BCHE P06276 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
ATM Q13315 1/20 0.56

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
SCHEMBL19505658 0.94 HTT (1.00) HTTSMN1; SMN2OPRK1SIGMAR1MEN1
SCHEMBL19498807 0.91 SIGMAR1 (0.80) HTTSMN1; SMN2OPRK1SIGMAR1ALDH1A1
SCHEMBL19505481 0.91 SIGMAR1 (0.80) HTTSMN1; SMN2OPRK1SIGMAR1ALDH1A1
SCHEMBL19505478 0.88 SIGMAR1 (0.84) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL3621767 0.88 SIGMAR1 (0.84) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL4019777 0.88 SIGMAR1 (0.84) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL11824647 0.88 BCHE (0.74) HTTSMN1; SMN2SIGMAR1ALDH1A1MEN1
SCHEMBL19498803 0.87 OPRK1 (0.81) HTTSMN1; SMN2OPRK1SIGMAR1ALDH1A1
SCHEMBL17221917 0.87 HTT (0.85) HTTSMN1; SMN2OPRK1SIGMAR1MEN1
SCHEMBL19505614 0.87 HTT (0.85) HTTSMN1; SMN2OPRK1SIGMAR1MEN1

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-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

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 HTT 276/4885SMN1; SMN2 1291/4885OPRK1 59/4885
US-10668030-B2 Vesicular monoamine transporter-2 ligands and their use in the treatment of psychostimulant abuse SLC18A2, SLC6A2, SLC6A3 HTT 276/4885SMN1; SMN2 1291/4885OPRK1 59/4885
US-20200237688-A1 VESICULAR MONOAMINE TRANSPORTER-2 LIGANDS AND THEIR USE IN THE TREATMENT OF PSYCHOSTIMULANT ABUSE SLC18A2, SLC6A2, SLC6A3 HTT 276/4885SMN1; SMN2 1291/4885OPRK1 59/4885
US-20170304227-A1 Vesicular Monoamine Transporter-2 Ligands and Their Use in the Treatment of Psychostimulant Abuse SLC18A2, SLC6A2, SLC6A3 HTT 276/4885SMN1; SMN2 1291/4885OPRK1 59/4885

“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.