SCHEMBL1865753

SCHEMBL1865753

Cc1nc(S(=O)(=O)NCCOc2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CCC2)=NCC3)cn1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.45
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.38
SLC8A1 P32418 1/20 0.35
HSD11B1 P28845 4/20 0.34
TRIM24 O15164 1/20 0.34
NLRP3 Q96P20 1/20 0.33
NR1I2 O75469 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
Hydrochloric Acid SCHEMBL1863842 0.99 SLC6A9 (0.45) SLC6A9CYP3A4KCNH2SLC8A1HSD11B1
Hydrochloric Acid SCHEMBL1861717 0.89 SLC6A9 (0.56) SLC6A9CYP3A4KCNH2
SCHEMBL1859397 0.87 SLC6A9 (0.40) SLC6A9CYP3A4KCNH2HSD11B1NR1I2
SCHEMBL989592 0.85 SLC6A9 (0.42) SLC6A9CYP3A4HSD11B1
SCHEMBL1078429 0.85 SLC6A9 (0.50) SLC6A9CYP3A4KCNH2HSD11B1NR1I2
SCHEMBL1861599 0.85 SLC6A9 (0.42) SLC6A9CYP3A4KCNH2
SCHEMBL989558 0.84 SLC6A9 (0.44) SLC6A9CYP3A4
SCHEMBL990093 0.83 MEN1 (0.48) SLC6A9CYP3A4
SCHEMBL988888 0.83 SLC6A9 (0.57) SLC6A9CYP3A4KCNH2HSD11B1
Hydrochloric Acid SCHEMBL988292 0.82 SLC6A9 (0.56) SLC6A9CYP3A4KCNH2HSD11B1

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 1 patent. 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

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 328/4885KCNH2 959/4885

“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.