SCHEMBL989705

SCHEMBL989705

CCCS(=O)(=O)NCCOc1cc2c(cc1F)CCN=C2C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.46
CYP3A4 P08684 2/20 0.46
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
SCN9A Q15858 3/20 0.33
HSD11B1 P28845 4/20 0.32
BRAF P15056 3/20 0.31
NR1I2 O75469 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL991124 0.90 CYP3A4 (0.35) SLC6A9CYP3A4SCN9AHSD11B1NR1I2
SCHEMBL989778 0.87 SLC6A9 (0.56) SLC6A9CYP3A4HSD11B1NR1I2
SCHEMBL988888 0.86 SLC6A9 (0.57) SLC6A9CYP3A4HSD11B1POLB
SCHEMBL988568 0.86 CCR1 (0.37) SLC6A9CYP3A4PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL988292 0.85 SLC6A9 (0.56) SLC6A9CYP3A4HSD11B1POLB
SCHEMBL989660 0.83 HSD11B1 (0.36) SLC6A9CYP3A4SCN9AHSD11B1NR1I2
SCHEMBL988874 0.82 HSD11B1 (0.36) CYP3A4SCN9AHSD11B1NR1I2
SCHEMBL4263838 0.82 SLC6A9 (0.52) SLC6A9CYP3A4POLB
SCHEMBL988940 0.82 SLC6A9 (0.52) SLC6A9CYP3A4HSD11B1POLB
SCHEMBL989150 0.81 SLC6A9 (0.48) SLC6A9CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott BmbH & Co. KG (DE) 2011-05-05 US disclosed
EP-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 EP 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-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GOLT1B, SLC10A1, SUGT1 SLC6A9 73/4885CYP3A4 328/4885PSEN1 535/4885

“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.