SCHEMBL21470771

SCHEMBL21470771

C[C@H]1c2cc(Oc3ccnc4c3cc(C=O)n4S(=O)(=O)c3ccccc3)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 14/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ NR1H2 P55055 2/20 0.32
▸ NR1H3 Q13133 2/20 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
SCHEMBL23353650 0.94 GHSR (0.36) GHSRTAS2R14NPC1POLBPARP1
SCHEMBL23327005 0.91 TAS2R14 (0.35) TAS2R14NPC1POLBPARP1
SCHEMBL21470704 0.90 GHSR (0.37) GHSRTAS2R14PARP1NR1H2NR1H3
SCHEMBL21470487 0.89 GHSR (0.36) GHSRTAS2R14HTR6PARP1NR1H2
SCHEMBL23353525 0.89 GHSR (0.38) GHSRTAS2R14HTR6PARP1
SCHEMBL21470700 0.86 GHSR (0.36) GHSRTAS2R14HTR6PARP1
SCHEMBL21470766 0.85 HTR6 (0.39) GHSRTAS2R14HTR6
SCHEMBL21470772 0.84 GHSR (0.35) GHSRNPC1POLBPARP1
SCHEMBL23326955 0.83 TAS2R14 (0.35) TAS2R14NPC1POLBPARP1
SCHEMBL23326956 0.83 TAS2R14 (0.35) TAS2R14NPC1POLBPARP1

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 GHSR 2448/4885TAS2R14 4112/4885NPC1 383/4885

“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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