SCHEMBL18285527

SCHEMBL18285527

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3c2[nH]c(=O)n3C2CCCN(C(=O)O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.40
▸ HRH1 P35367 3/20 0.38
▸ HRH4 Q9H3N8 3/20 0.38
▸ BTK Q06187 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CALCRL Q16602 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ TEC P42680 1/20 0.37
▸ CD69 Q07108 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18285521 1.00 OPRM1 (0.40) OPRM1HRH1HRH4BTKHPGD
SCHEMBL28233724 0.91 BTK (0.37) OPRM1BTKCALCRLEGFRTEC
SCHEMBL30111801 0.90 HTR6 (0.40) OPRM1HRH1HRH4BTKALDH1A1
SCHEMBL18289976 0.90 HTR6 (0.40) OPRM1HRH1HRH4BTKALDH1A1
SCHEMBL29471042 0.87 OPRM1 (0.46) OPRM1HPGDGAACALCRLKDM4E
SCHEMBL28076558 0.85 CALCRL (0.40) OPRM1CALCRLBCHEACHEDRD2
SCHEMBL28076562 0.85 CALCRL (0.40) OPRM1CALCRLBCHEACHEDRD2
SCHEMBL18645213 0.83 HTR6 (0.47) BTKBCHEACHE
SCHEMBL18818236 0.81 BTK (0.58) BTKEGFRTECCD69
SCHEMBL18818235 0.81 BTK (0.58) BTKEGFRTECCD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151012-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2023-05-18 — — US disclosed
EP-4112618-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2023-01-04 — — EP disclosed
EP-3912979-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2021-11-24 — — EP disclosed
US-20210171526-A1 Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2021-06-10 — — US disclosed
EP-3303334-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2021-06-02 — — EP disclosed
US-20180162861-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-06-14 — — US disclosed
EP-3303334-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2018-04-11 — — EP disclosed
US-9688676-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2017-06-27 — — US disclosed
US-20170129890-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2017-05-11 — — US disclosed
WO-2016196840-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-08 — — 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 (4 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-20210171526-A1 Tyrosine Kinase Inhibitors BTK, LYN, SYK OPRM1 4673/4885HRH1 3273/4885HRH4 3284/4885
US-20180162861-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK OPRM1 4673/4885HRH1 3273/4885HRH4 3284/4885
US-20170129890-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK OPRM1 4673/4885HRH1 3273/4885HRH4 3284/4885
US-20230151012-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK OPRM1 4673/4885HRH1 3273/4885HRH4 3284/4885

“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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