SCHEMBL867588

SCHEMBL867588

Cn1cnc(S(=O)(=O)NCCOc2cccc(C(CN)Cc3cccc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.58
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRIM24 O15164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL867654 0.91 SLC6A9 (0.55) SLC6A9KMT2AGAAMEN1KCNH2
SCHEMBL628190 0.89 SLC6A9 (0.53) SLC6A9KMT2AGAAMEN1KCNH2
SCHEMBL627177 0.88 SLC6A9 (0.57) SLC6A9KMT2AGAAMEN1KCNH2
SCHEMBL627233 0.87 SLC6A9 (0.49) SLC6A9KMT2AGAAMEN1KCNH2
SCHEMBL626727 0.85 SLC6A9 (0.44) SLC6A9KMT2AGAALMNAALDH1A1
SCHEMBL867632 0.79 SLC6A9 (0.50) SLC6A9KMT2AGAAMEN1KCNH2
SCHEMBL867296 0.77 SLC6A9 (0.54) SLC6A9KMT2AGAAMEN1KCNH2
SCHEMBL627434 0.77 LMNA (0.48) SLC6A9KMT2AGAAMEN1KCNH2
SCHEMBL867561 0.77 SLC6A9 (0.53) SLC6A9KMT2AGAAMEN1KCNH2
Hydrochloric Acid SCHEMBL867148 0.76 SLC6A9 (0.53) SLC6A9KMT2AGAAMEN1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US claimed
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-8877794-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-04 US disclosed
US-8877794-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-04 US disclosed
US-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 US disclosed
US-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 US disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US disclosed
WO-2012020130-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO 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 (2 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-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT SLC6A9 30/4885KMT2A 682/4885GAA 640/4885
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT SLC6A9 30/4885KMT2A 682/4885GAA 640/4885

“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.