SCHEMBL22408751

SCHEMBL22408751

O=[N+]([O-])c1ccc(CC(F)CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 2/20 0.47
IDO1 P14902 4/20 0.44
AKR1C3 P42330 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2240772 0.81 TSHR (0.58) TSHRLMNALOXL2ALDH1A1CYP2C19
SCHEMBL11567222 0.81 LOXL2 (0.55) TSHRLMNALOXL2ALDH1A1CYP2C19
SCHEMBL1176909 0.80 TSHR (0.56) TSHRLMNALOXL2ALDH1A1CYP2C19
SCHEMBL334475 0.80 TSHR (0.56) TSHRLMNALOXL2ALDH1A1CYP2C19
SCHEMBL8186292 0.80 TSHR (0.56) TSHRLMNALOXL2ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL4360113 0.79 TSHR (0.55) TSHRLMNALOXL2ALDH1A1CYP2C19
SCHEMBL9969480 0.79 TSHR (0.55) TSHRLMNALOXL2ALDH1A1CYP2C19
SCHEMBL19938068 0.79 TSHR (0.55) TSHRLMNALOXL2ALDH1A1CYP2C19
SCHEMBL18118460 0.79 TSHR (0.55) TSHRLMNALOXL2ALDH1A1CYP2C19
SCHEMBL14541037 0.77 MEN1 (0.49) TSHRLMNALOXL2ALDH1A1CYP2C19

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-12637410-B2 Vesicular monoamine transporter-2 ligands and their use in the treatment of psychostimulant abuse UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2026-05-26 US disclosed
US-11999676-B2 Vesicular monoamine transporter-2 ligands and their use in the treatment of psychostimulant abuse UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-06-04 US disclosed
WO-2023245156-A2 VESICULAR MONOAMINE TRANSPORTER-2 LIGANDS AND THEIR USE IN THE TREATMENT OF PSYCHOSTIMULANT ABUSE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-12-21 WO disclosed
US-20220315523-A1 Vesicular Monoamine Transporter-2 Ligands and Their Use in the Treatment of Psychostimulant Abuse UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2022-10-06 US disclosed
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

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 TSHR 928/4885LMNA 3785/4885LOXL2 2356/4885
US-12637410-B2 Vesicular monoamine transporter-2 ligands and their use in the treatment of psychostimulant abuse SLC18A2, SLC6A2, SLC6A3 TSHR 758/4885LMNA 2694/4885LOXL2 2395/4885
US-11999676-B2 Vesicular monoamine transporter-2 ligands and their use in the treatment of psychostimulant abuse SLC18A2, SLC6A2, SLC6A3 TSHR 928/4885LMNA 3785/4885LOXL2 2356/4885
US-20220315523-A1 Vesicular Monoamine Transporter-2 Ligands and Their Use in the Treatment of Psychostimulant Abuse SLC18A2, SLC6A2, SLC6A3 TSHR 963/4885LMNA 3941/4885LOXL2 2266/4885

“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.