SCHEMBL626894

SCHEMBL626894

Cn1cc(S(=O)(=O)NCCOc2cccc(C(Cc3ccccc3)CN3CCC3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.46
HTR7 P34969 6/20 0.46
SLC6A9 P48067 5/20 0.41
ALDH1A1 P00352 2/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 2/20 0.37
DRD2 P14416 1/20 0.37
HTR6 P50406 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL627278 0.98 HTR1A (0.46) HTR1AHTR7SLC6A9ALDH1A1KCNH2
SCHEMBL627013 0.88 HTR1A (0.48) HTR1AHTR7SLC6A9ALDH1A1HTT
SCHEMBL627436 0.87 HTR1A (0.47) HTR1AHTR7SLC6A9ALDH1A1HTT
SCHEMBL622039 0.85 OPRK1 (0.43) HTR1AHTR7ALDH1A1LMNASMN1; SMN2
SCHEMBL867296 0.85 SLC6A9 (0.54) HTR1AHTR7SLC6A9KCNH2LMNA
SCHEMBL10249611 0.81 DRD4 (0.43) ALDH1A1SMN1; SMN2DRD2
SCHEMBL626794 0.81 SLC6A9 (0.48) HTR1AHTR7SLC6A9ALDH1A1HTT
SCHEMBL627138 0.80 SLC6A9 (0.46) HTR1AHTR7SLC6A9ALDH1A1MAPK1
SCHEMBL626932 0.79 HTR1A (0.46) HTR1AHTR7SLC6A9ALDH1A1HTT
SCHEMBL626727 0.78 SLC6A9 (0.44) HTR1AHTR7SLC6A9ALDH1A1HTT

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 10 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

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 HTR1A 555/4885HTR7 374/4885SLC6A9 30/4885
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT HTR1A 555/4885HTR7 374/4885SLC6A9 30/4885

“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.