SCHEMBL989834

SCHEMBL989834

CCC(C(Oc1ccc2c(c1)C(C1(c3cccc(Cl)c3)CCC1)NCC2)C(N)=O)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.49
CYP3A4 P08684 1/20 0.49
GHSR Q92847 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
SCN3A Q9NY46 1/20 0.31
GRIN2C Q14957 1/20 0.31

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 SCHEMBL988932 0.91 SLC6A9 (0.57) SLC6A9CYP3A4GHSR
Hydrochloric Acid SCHEMBL991012 0.85 SLC6A9 (0.57) SLC6A9CYP3A4
Hydrochloric Acid SCHEMBL988959 0.82 SLC6A9 (0.47) SLC6A9CYP3A4
SCHEMBL989782 0.81 SLC6A9 (0.46) SLC6A9CYP3A4SCN3AGRIN2C
SCHEMBL4257102 0.81 SLC6A9 (0.51) SLC6A9CYP3A4OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL989770 0.80 SLC6A9 (0.45) SLC6A9CYP3A4GRIN2C
Hydrochloric Acid SCHEMBL988257 0.79 SLC6A9 (0.54) SLC6A9CYP3A4GHSR
SCHEMBL4257107 0.78 SLC6A9 (0.55) SLC6A9CYP3A4
Hydrochloric Acid SCHEMBL989674 0.77 SLC6A9 (0.54) SLC6A9CYP3A4GHSR
SCHEMBL989832 0.75 SLC6A9 (0.84) SLC6A9CYP3A4

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 328/4885GHSR 2079/4885

“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.