SCHEMBL23005289

SCHEMBL23005289

Cc1ncc(-c2ccc([Mg]Cl)cn2)o1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
CA1 P00915 4/20 0.36
LRRK2 Q5S007 1/20 0.33
PIK3CG P48736 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL21246463 0.77 CCR1 (0.58) CA12CA2CA9CA1LRRK2
SCHEMBL21230285 0.74 CA12 (0.39) CA12CA2CA9CA1LRRK2
SCHEMBL2625722 0.74 CA12 (0.42) CA12CA2CA9CA1LRRK2
SCHEMBL2625720 0.74 CYP1A1 (0.39) CA12CA2CA9CA1LRRK2
Hydrochloric Acid SCHEMBL23005288 0.72 CA12 (0.38) CA12CA2CA9CA1LRRK2
SCHEMBL13484033 0.70 FAAH (0.41) CA12CA2CA9CA1LRRK2
SCHEMBL12499177 0.67 CA12 (0.39) CA12CA2CA9CA1LRRK2
SCHEMBL9287997 0.67 CCR1 (0.54) CCR1CCR5CCR8HDAC6
SCHEMBL2625721 0.63 HDAC4 (0.49)
SCHEMBL13484053 0.62 FAAH (0.43) CA12CA2CA9CA1LRRK2

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
CN-111655700-B Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2023-07-18 CN disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 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 (2 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-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS MBOAT4, GIPR, ADIPOR1 CA12 4788/4885CA2 3221/4885CA9 4111/4885
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, ADIPOR1, GIPR CA12 4769/4885CA2 3389/4885CA9 4080/4885

“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.