SCHEMBL14682182

SCHEMBL14682182

Cn1cc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCC2)CO3)cn1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.57
KCNH2 Q12809 7/20 0.51
SLC8A1 P32418 1/20 0.40
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 2/20 0.35
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34

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
SCHEMBL18525051 1.00 SLC6A9 (0.57) SLC6A9KCNH2SLC8A1ALDH1A1HPGD
SCHEMBL14682235 0.98 SLC6A9 (0.55) SLC6A9KCNH2SLC8A1ALDH1A1HPGD
SCHEMBL18525062 0.98 SLC6A9 (0.55) SLC6A9KCNH2SLC8A1ALDH1A1HPGD
SCHEMBL14682183 0.86 SLC6A9 (0.77) SLC6A9KCNH2SLC8A1HTR1AHTR7
SCHEMBL18525094 0.86 SLC6A9 (0.77) SLC6A9KCNH2SLC8A1HTR1AHTR7
SCHEMBL14673536 0.86 SLC6A9 (0.44) SLC6A9KCNH2SLC8A1ALDH1A1HPGD
SCHEMBL607648 0.86 SLC6A9 (0.62) SLC6A9KCNH2SLC8A1HRH3HTR1A
SCHEMBL14673537 0.86 SLC6A9 (0.44) SLC6A9KCNH2SLC8A1ALDH1A1HPGD
SCHEMBL14673067 0.86 SLC6A9 (0.44) SLC6A9KCNH2SLC8A1ALDH1A1HPGD
SCHEMBL14673066 0.86 SLC6A9 (0.44) SLC6A9KCNH2SLC8A1ALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739614-B1 AMINOCHROMANEs, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2017-02-22 EP disclosed
US-8853196-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-07 US disclosed
US-8853196-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-07 US disclosed
WO-2013020930-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2013-02-14 WO disclosed
US-20130035323-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2013-02-07 US disclosed
US-20130035323-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2013-02-07 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-20130035323-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC7A1, BCAT1, AADAT SLC6A9 189/4885KCNH2 1393/4885SLC8A1 153/4885

“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.