SCHEMBL23216993

SCHEMBL23216993

Nc1nccc2c1[nH]c(=O)n2C1CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ OPRM1 P35372 1/20 0.34
▸ TNKS O95271 9/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ TNKS2 Q9H2K2 3/20 0.32
▸ C5AR1 P21730 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL25616564 0.84 CHRM2 (0.46) OPRM1CHRM1CHRM2CHRM4
SCHEMBL28908346 0.82 ADORA3 (0.45) ALDH1A1OPRM1CHRM1CHRM2CHRM4
SCHEMBL23217008 0.80 ALDH1A1 (0.43) ALDH1A1LMNATNKSPARP1TNKS2
SCHEMBL29844265 0.78 C5AR1 (0.36) ALDH1A1LMNAOPRM1TNKSTNKS2
SCHEMBL23216905 0.78 C5AR1 (0.36) ALDH1A1LMNAOPRM1TNKSTNKS2
SCHEMBL18818255 0.74 RPS6KA5 (0.43) ADORA3ADORA2B
SCHEMBL18289975 0.74 RPS6KA5 (0.43) ADORA3ADORA2B
SCHEMBL30866992 0.74 RPS6KA5 (0.43) ADORA3ADORA2B
SCHEMBL10265182 0.73 CHRM1 (0.60) OPRM1TNKSCHRM1CHRM2CHRM4
SCHEMBL29737109 0.71 RXFP1 (0.34) OPRM1RXFP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-23 — — US disclosed
EP-4041401-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES Dana-Farber Cancer Institute, Inc. (US) 2022-08-17 — — EP disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — WO disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — 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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES HCK, LYN, BTK ALDH1A1 4815/4885LMNA 2732/4885OPRM1 1701/4885

“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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