SCHEMBL19498809

SCHEMBL19498809

COc1ccc(CCCNC(C)CCc2ccc(OC)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.82
SMN1; SMN2 Q16637 1/20 0.82
SIGMAR1 Q99720 1/20 0.69
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
ADRB3 P13945 4/20 0.53
ADRB2 P07550 3/20 0.53
ADRB1 P08588 1/20 0.53
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL19498807 0.94 SIGMAR1 (0.80) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL19505481 0.94 SIGMAR1 (0.80) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL19505658 0.90 HTT (1.00) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL19498794 0.87 SIGMAR1 (0.89) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL29342459 0.85 SIGMAR1 (0.66) HTTSMN1; SMN2SIGMAR1POLBADRB3
SCHEMBL19505656 0.84 HTT (0.88) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL19505614 0.83 HTT (0.85) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL17221917 0.83 HTT (0.85) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL22043526 0.82 SIGMAR1 (1.00) SIGMAR1MEN1KMT2A
SCHEMBL22043276 0.82 SIGMAR1 (1.00) SIGMAR1MEN1KMT2A

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 5 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-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 1291/4885SIGMAR1 109/4885
US-10668030-B2 Vesicular monoamine transporter-2 ligands and their use in the treatment of psychostimulant abuse SLC18A2, SLC6A2, SLC6A3 HTT 276/4885SMN1; SMN2 1291/4885SIGMAR1 109/4885
US-20200237688-A1 VESICULAR MONOAMINE TRANSPORTER-2 LIGANDS AND THEIR USE IN THE TREATMENT OF PSYCHOSTIMULANT ABUSE SLC18A2, SLC6A2, SLC6A3 HTT 276/4885SMN1; SMN2 1291/4885SIGMAR1 109/4885
US-20170304227-A1 Vesicular Monoamine Transporter-2 Ligands and Their Use in the Treatment of Psychostimulant Abuse SLC18A2, SLC6A2, SLC6A3 HTT 276/4885SMN1; SMN2 1291/4885SIGMAR1 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.