SCHEMBL23326977

SCHEMBL23326977

CC1CN(C(=O)O)Cc2cc(O)c(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD5 P21918 9/20 0.38
▸ ABHD6 Q9BV23 1/20 0.36
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ KIF11 P52732 5/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 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
SCHEMBL21470913 0.82 ESR2 (0.43) ABHD6ESR2PDK2
SCHEMBL21470914 0.79 SLC6A2 (0.44) DRD5
SCHEMBL29238589 0.77 ESR2 (0.49) ABHD6ESR1ESR2KIF11
SCHEMBL29238643 0.72 KIF11 (0.49) ABHD6ESR1ESR2KIF11
SCHEMBL13886242 0.71 ABHD6 (0.59) ABHD6PDK2
SCHEMBL23327090 0.70 CA1 (0.45) ESR1ESR2
SCHEMBL29118083 0.69 HTR5A (0.48) —
SCHEMBL3356388 0.66 RBP4 (0.38) —
SCHEMBL23327030 0.66 PDK2 (0.34) ESR1ESR2PDK2
SCHEMBL12313602 0.66 RYR2 (0.43) —

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-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

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 DRD5 4798/4885ABHD6 3806/4885ESR1 1230/4885

“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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