SCHEMBL989660

SCHEMBL989660

O=S(=O)(NCCOc1cc2c(cc1F)CCN=C2C1(c2ccc(Cl)cc2)CCC1)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.36
CNR1 P21554 2/20 0.35
NR1I2 O75469 3/20 0.34
GLRA3 O75311 2/20 0.33
SLC6A9 P48067 1/20 0.33
F2 P00734 1/20 0.33
SCN9A Q15858 2/20 0.33
CYP3A4 P08684 1/20 0.33
TBXAS1 P24557 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GLRB P48167 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL988568 0.92 CCR1 (0.37) HSD11B1NR1I2GLRA3SLC6A9F2
SCHEMBL990369 0.87 SLC6A2 (0.42) HSD11B1CNR1NR1I2SLC6A9F2
SCHEMBL991124 0.86 CYP3A4 (0.35) HSD11B1NR1I2SLC6A9SCN9ACYP3A4
SCHEMBL989705 0.83 SLC6A9 (0.46) HSD11B1NR1I2SLC6A9SCN9ACYP3A4
SCHEMBL988874 0.80 HSD11B1 (0.36) HSD11B1NR1I2SCN9ACYP3A4SLC6A4
SCHEMBL989592 0.78 SLC6A9 (0.42) HSD11B1SLC6A9F2CYP3A4SLC6A2
SCHEMBL989583 0.78 CCR1 (0.41) HSD11B1NR1I2SLC6A9F2CYP3A4
SCHEMBL8026429 0.77 SLC6A9 (0.53) CNR1GLRA3SLC6A9F2SCN9A
SCHEMBL991099 0.76 DRD2 (0.41) CNR1SCN9A
SCHEMBL988781 0.76 SLC6A9 (0.41) HSD11B1SLC6A9F2CYP3A4SLC6A2

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 HSD11B1 1303/4885CNR1 740/4885NR1I2 454/4885

“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.