Vanoxerine

Vanoxerine

SCHEMBL3014060

Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1.[Cl-].[Cl-].[H+].[H+]

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Vanoxerine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 known ✓ Q01959 6/20 0.95
SLC6A2 known ✓ P23975 4/20 0.95
SLC6A4 P31645 6/20 0.95
SIGMAR1 Q99720 5/20 0.95
SMN1; SMN2 Q16637 4/20 0.95
MAPK1 P28482 3/20 0.95
MEN1 O00255 3/20 0.95
ALDH1A1 P00352 3/20 0.95
LMNA P02545 3/20 0.95
KMT2A Q03164 3/20 0.95
CYP2D6 P10635 3/20 0.95
TDP1 Q9NUW8 2/20 0.95
TP53 P04637 2/20 0.95
CYP1A2 P05177 2/20 0.95
MAPT P10636 2/20 0.95
CYP2C9 P11712 2/20 0.95
TSHR P16473 2/20 0.95
NFKB1 P19838 2/20 0.95
CYP2C19 P33261 2/20 0.95
THPO P40225 2/20 0.95

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
Vanoxerine SCHEMBL246574 0.97 SLC6A4 (1.00) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2
Vanoxerine SCHEMBL725103 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2
SCHEMBL10000765 0.96 SLC6A4 (0.97) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2
Vanoxerine SCHEMBL15541249 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2
SCHEMBL6254945 0.92 SLC6A4 (0.90) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2
SCHEMBL24221220 0.92 SLC6A4 (0.88) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2
Hydrochloric Acid SCHEMBL11374533 0.91 SLC6A4 (0.90) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2
Hydrochloric Acid SCHEMBL11380714 0.90 SLC6A4 (0.88) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2
Vanoxerine SCHEMBL11373792 0.89 SLC6A4 (0.83) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2
Vanoxerine SCHEMBL11373788 0.89 SLC6A4 (0.83) SLC6A4SLC6A3SIGMAR1SLC6A2SMN1; SMN2

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-20220107328-A1 METHODS OF TREATING LIVER DISEASES CAMP4 THERAPEUTICS CORPORATION 2022-04-07 US disclosed
US-20100191475-A1 METHOD FOR IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF AGENTS WHICH MODULATE ION CHANNEL ACTIVITY PERSCHKE SCOTT 2010-07-29 US disclosed
EP-1839222-A2 A METHOD FOR IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF AGENTS WHICH MODULATE ION CHANNEL ACTIVITY Novascreen Biosciences (US) 2007-10-03 EP disclosed
WO-2006066219-A2 A METHOD FOR IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF AGENTS WHICH MODULATE ION CHANNEL ACTIVITY NOVASCREEN BIOSCIENCES (US) 2006-06-22 WO disclosed
US-20060136140-A1 Method for identification and functional characterization of agents which modulate ion channel activity NOVASCREEN BIOSCIENCES 2006-06-22 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 (1 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-20220107328-A1 METHODS OF TREATING LIVER DISEASES PNPLA2, LIPC, PNLIP SLC6A3 1786/4885SLC6A2 2002/4885SLC6A4 2223/4885

“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.