SCHEMBL21470766

SCHEMBL21470766

C[C@H]1c2cc(Oc3ccnc4c3ccn4S(=O)(=O)c3ccccc3)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.39
▸ GHSR Q92847 13/20 0.38
▸ BCHE P06276 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ HDAC8 Q9BY41 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
SCHEMBL23327042 0.91 TAS2R14 (0.37) HTR6TAS2R14METPIK3C3
SCHEMBL21470704 0.87 GHSR (0.37) GHSRTAS2R14
SCHEMBL21470771 0.85 GHSR (0.37) HTR6GHSRTAS2R14
SCHEMBL23353525 0.85 GHSR (0.38) HTR6GHSRTAS2R14HDAC8
SCHEMBL21470487 0.85 GHSR (0.36) HTR6GHSRTAS2R14
SCHEMBL23353650 0.85 GHSR (0.36) GHSRTAS2R14
SCHEMBL21470700 0.83 GHSR (0.36) HTR6GHSRTAS2R14
SCHEMBL21470768 0.83 GHSR (0.36) GHSRMET
SCHEMBL21593114 0.79 NR1H2 (0.44) HTR6BCHEHDAC8
SCHEMBL21470772 0.78 GHSR (0.35) GHSRHDAC8

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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 — — WO 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 HTR6 677/4885GHSR 2448/4885BCHE 2440/4885

“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.

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