SCHEMBL990367

SCHEMBL990367

COc1ccccc1S(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.40
CYP3A4 P08684 1/20 0.40
HSD11B1 P28845 2/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPY1R P25929 2/20 0.35
NPY5R Q15761 2/20 0.35
PTGER3 P43115 1/20 0.35
CCR1 P32246 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL990394 0.91 SLC6A9 (0.40) SLC6A9CYP3A4HSD11B1TRPV4NR1I2
SCHEMBL990093 0.88 MEN1 (0.48) SLC6A9CYP3A4SMN1; SMN2L3MBTL1CCR1
SCHEMBL988899 0.87 SLC6A9 (0.39) SLC6A9CYP3A4HSD11B1TRPV4NR1I2
SCHEMBL989592 0.86 SLC6A9 (0.42) SLC6A9CYP3A4HSD11B1TRPV4LMNA
SCHEMBL989128 0.86 ALDH1A1 (0.43) SLC6A9CYP3A4SMN1; SMN2L3MBTL1NPSR1
SCHEMBL989820 0.86 KMT2A (0.47) SLC6A9CYP3A4SMN1; SMN2
SCHEMBL989558 0.85 SLC6A9 (0.44) SLC6A9CYP3A4
SCHEMBL990531 0.85 CCR1 (0.44) SLC6A9CYP3A4CCR1
SCHEMBL989583 0.84 CCR1 (0.41) SLC6A9CYP3A4HSD11B1TRPV4NR1I2
SCHEMBL1859397 0.84 SLC6A9 (0.40) SLC6A9CYP3A4HSD11B1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US disclosed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US disclosed
EP-2271625-B1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO KG (DE) 2012-09-12 EP disclosed
EP-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 EP disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 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 (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-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 SLC6A9 73/4885CYP3A4 328/4885HSD11B1 1303/4885

“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.