SCHEMBL23326983

SCHEMBL23326983

COc1ccc2c(c1)C1CCC2CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ MTNR1B P49286 8/20 0.41
▸ MTNR1A P48039 5/20 0.40
▸ FFAR2 O15552 2/20 0.40
▸ CPS1 P31327 1/20 0.39
▸ PROKR1 Q8TCW9 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ EDNRA P25101 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
SCHEMBL21465775 0.83 HTT (0.43) MTNR1BKDM4EALDH1A1LMNATSHR
SCHEMBL23326618 0.80 CHRNB2 (0.39) —
SCHEMBL30888638 0.73 PTGDR2 (0.45) PTGDR2
SCHEMBL26788238 0.70 PTGDR2 (0.51) PTGDR2KDM4EALDH1A1LMNA
SCHEMBL12047054 0.70 SMN1; SMN2 (0.53) PTGDR2KDM4EALDH1A1LMNAGAA
SCHEMBL23326213 0.69 PTGDR2 (0.57) PTGDR2MTNR1BMTNR1APROKR1KDM4E
SCHEMBL30040477 0.69 ALDH1A1 (0.46) MTNR1BALDH1A1
SCHEMBL30039889 0.69 ALDH1A1 (0.46) MTNR1BALDH1A1
SCHEMBL1148370 0.68 NPC1 (0.56) PTGDR2MTNR1BMTNR1ACPS1KDM4E
SCHEMBL1803184 0.68 SIGMAR1 (0.39) PTGDR2MTNR1BMTNR1A

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 PTGDR2 1833/4885MTNR1B 1895/4885MTNR1A 1179/4885

“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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