SCHEMBL19498804

SCHEMBL19498804

CC(CCc1ccccc1)N(C)CCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.81
SIGMAR1 Q99720 8/20 0.73
TAAR1 Q96RJ0 1/20 0.55
AOC3 Q16853 4/20 0.52
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL19498806 0.89 SIGMAR1 (0.75) KDM4ESIGMAR1TAAR1AOC3SLC6A2
SCHEMBL19498789 0.85 SIGMAR1 (1.00) KDM4ESIGMAR1TAAR1AOC3ADRA2B
SCHEMBL555308 0.82 KDM4E (0.57) KDM4ESIGMAR1TAAR1AOC3ADRA2B
SCHEMBL8255372 0.82 SIGMAR1 (0.69) KDM4ESIGMAR1TAAR1AOC3ADRA2B
SCHEMBL19954175 0.78 SIGMAR1 (0.65) KDM4ESIGMAR1TAAR1AOC3ADRA2B
SCHEMBL27885210 0.78 SIGMAR1 (0.65) KDM4ESIGMAR1TAAR1AOC3
SCHEMBL7141888 0.76 SIGMAR1 (0.61) KDM4ESIGMAR1TAAR1AOC3
SCHEMBL11131474 0.75 SIGMAR1 (0.66) KDM4ESIGMAR1OPRK1KCNH2
SCHEMBL27416812 0.74 TAAR1 (0.52) KDM4ESIGMAR1TAAR1AOC3HTR2A
SCHEMBL172915 0.74 TAAR1 (0.52) KDM4ESIGMAR1TAAR1AOC3HTR2A

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 KDM4E 1908/4885SIGMAR1 109/4885TAAR1 31/4885
US-10668030-B2 Vesicular monoamine transporter-2 ligands and their use in the treatment of psychostimulant abuse SLC18A2, SLC6A2, SLC6A3 KDM4E 1908/4885SIGMAR1 109/4885TAAR1 31/4885
US-20200237688-A1 VESICULAR MONOAMINE TRANSPORTER-2 LIGANDS AND THEIR USE IN THE TREATMENT OF PSYCHOSTIMULANT ABUSE SLC18A2, SLC6A2, SLC6A3 KDM4E 1908/4885SIGMAR1 109/4885TAAR1 31/4885
US-20170304227-A1 Vesicular Monoamine Transporter-2 Ligands and Their Use in the Treatment of Psychostimulant Abuse SLC18A2, SLC6A2, SLC6A3 KDM4E 1908/4885SIGMAR1 109/4885TAAR1 31/4885

“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.