SCHEMBL21223976

SCHEMBL21223976

FC(F)(F)Oc1ccc(I)cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL628262 0.76 L3MBTL1 (0.56) TRPV1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL29355127 0.75 THRB (0.41) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9839858 0.75 L3MBTL1 (0.32) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7996271 0.75 CCR1 (0.43) L3MBTL1KMT2A
SCHEMBL17796276 0.75 L3MBTL1 (0.35) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19023296 0.75 DEGS1 (0.36) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2303325 0.75 KDM4E (0.50) L3MBTL1CYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL22397221 0.75 THRB (0.41) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30114254 0.75 KDM4E (0.50) L3MBTL1CYP1A2CYP3A4CYP2C9KMT2A
Hydrochloric Acid SCHEMBL25269873 0.73 KDM4E (0.49) L3MBTL1KMT2A

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 9 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
WO-2021047622-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-18 WO 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
EP-3746451-A1 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) 2020-12-09 EP disclosed
CN-111655700-A Benzyl-, (pyridin-3-yl) methyl-or (pyridin-4-yl) methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2020-09-11 CN disclosed
US-20200131151-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-30 US disclosed
WO-2019149657-A1 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) 2019-08-08 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 (3 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 TRPV1 452/4885L3MBTL1 873/4885CYP1A2 807/4885
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 TRPV1 354/4885L3MBTL1 809/4885CYP1A2 1192/4885
US-20200131151-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 TRPV1 840/4885L3MBTL1 4469/4885CYP1A2 2839/4885

“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.