SCHEMBL21470911

SCHEMBL21470911

CC(C)(C)OC(=O)Oc1cc2c(cc1F)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.56
▸ NR1H2 P55055 1/20 0.55
▸ MAP3K5 Q99683 3/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ABHD6 Q9BV23 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HCRTR2 O43614 2/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38

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
SCHEMBL23327091 0.91 ESR2 (0.44) ESR2NR1H2MAPK1MEN1KMT2A
SCHEMBL20364338 0.85 ESR2 (0.55) ESR2NR1H2MAP3K5MAPK1MAPT
SCHEMBL31335780 0.83 ESR2 (0.53) ESR2NR1H2MAP3K5MAPK1MAPT
SCHEMBL21470912 0.83 ESR2 (0.64) ESR2NR1H2MAP3K5MAPK1MAPT
SCHEMBL23684302 0.83 ESR2 (0.64) ESR2NR1H2MAP3K5MAPK1MAPT
SCHEMBL30260152 0.83 ESR2 (0.64) ESR2NR1H2MAP3K5MAPK1MAPT
SCHEMBL30199587 0.83 ESR2 (0.64) ESR2NR1H2MAP3K5MAPK1MAPT
SCHEMBL4171400 0.81 NR1H2 (0.65) ESR2NR1H2MAP3K5MAPK1MAPT
SCHEMBL17065001 0.81 NR1H2 (0.65) ESR2NR1H2MAP3K5MAPK1MAPT
SCHEMBL20330433 0.81 ESR2 (0.60) ESR2NR1H2MAP3K5MAPK1MAPT

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 3 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
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 ESR2 537/4885NR1H2 439/4885MAP3K5 96/4885

“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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