SCHEMBL990369

SCHEMBL990369

O=S(=O)(NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SLC6A9 P48067 5/20 0.39
CYP3A4 P08684 1/20 0.39
F2 P00734 2/20 0.37
TBXAS1 P24557 5/20 0.36
CNR1 P21554 2/20 0.36
NR1I2 O75469 2/20 0.33
HSD11B1 P28845 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL989592 0.91 SLC6A9 (0.42) SLC6A2SLC6A4SLC6A3SLC6A9CYP3A4
SCHEMBL989583 0.91 CCR1 (0.41) SLC6A9CYP3A4F2NR1I2HSD11B1
SCHEMBL988781 0.89 SLC6A9 (0.41) SLC6A2SLC6A4SLC6A3SLC6A9CYP3A4
SCHEMBL989128 0.88 ALDH1A1 (0.43) SLC6A9CYP3A4F2
SCHEMBL990531 0.88 CCR1 (0.44) SLC6A9CYP3A4F2
SCHEMBL990093 0.87 MEN1 (0.48) SLC6A9CYP3A4F2
SCHEMBL989660 0.87 HSD11B1 (0.36) SLC6A2SLC6A4SLC6A3SLC6A9CYP3A4
SCHEMBL1078429 0.86 SLC6A9 (0.50) SLC6A9CYP3A4NR1I2HSD11B1
SCHEMBL990394 0.86 SLC6A9 (0.40) SLC6A9CYP3A4NR1I2HSD11B1
SCHEMBL989820 0.85 KMT2A (0.47) SLC6A9CYP3A4KDM4E

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 SLC6A2 49/4885SLC6A4 61/4885SLC6A3 114/4885

“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.