SCHEMBL623584

SCHEMBL623584

O=S(=O)(CC1CC1)NCc1cccc(C2(Cc3ccccc3)CCNC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.47
SLC6A4 P31645 16/20 0.47
SLC6A3 Q01959 16/20 0.47
CYP2D6 P10635 15/20 0.47
KCNH2 Q12809 5/20 0.47
GAK O14976 1/20 0.38
STK16 O75716 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CDKL2 Q92772 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
HTR2A P28223 1/20 0.35
TACR1 P25103 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
SCHEMBL622746 0.85 SLC6A9 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL620694 0.76 SLC6A9 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL623044 0.76 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL623212 0.71 SLC6A9 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4563113 0.69 DPP4 (0.50) SLC6A4SLC6A3CYP2D6KCNH2HTR2A
SCHEMBL980804 0.67 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL980764 0.67 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL12473906 0.66 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL12473903 0.66 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL985001 0.66 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US claimed
US-8877794-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-04 US claimed
US-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 US claimed
EP-2603487-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2013-06-19 EP claimed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US claimed
WO-2012020130-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO 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-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-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-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 SLC6A2 46/4885SLC6A4 24/4885SLC6A3 63/4885
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT SLC6A2 46/4885SLC6A4 24/4885SLC6A3 63/4885

“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.