SCHEMBL868100

SCHEMBL868100

CCCS(=O)(=O)N(C)Cc1cccc(C(CN)C2(c3ccc(Cl)cc3)CCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.36
SLC6A3 Q01959 7/20 0.36
SLC6A2 P23975 5/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.34
AOC3 Q16853 2/20 0.32

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
Hydrochloric Acid SCHEMBL867802 0.99 CYP3A4 (0.37) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL867162 0.91 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL867310 0.90 CYP3A4 (0.36) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL620933 0.86 SLC6A9 (0.34) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL10252970 0.82 DRD2 (0.36) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL867928 0.80 ALDH1A1 (0.33) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL868088 0.80 MEN1 (0.49) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL868064 0.80 TSHR (0.33) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL867843 0.79 MEN1 (0.48) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL10269592 0.75 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A

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 13 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
CN-103237788-A Phenalkylamine derivatives, pharmaceutical compositions containing them and their use in therapy ABBVIE DEUTSCHLAND 2013-08-07 CN claimed
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

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 SLC6A4 24/4885SLC6A3 63/4885SLC6A2 46/4885
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT SLC6A4 24/4885SLC6A3 63/4885SLC6A2 46/4885

“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.