SCHEMBL23005307

SCHEMBL23005307

Cc1nnc2c([Mg]Cl)cccn12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
BRD4 O60885 2/20 0.31
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 2/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 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
SCHEMBL10179020 0.75 NR1I2 (0.46) NR1I2HSD11B1NPC1ALDH1A1MAPT
SCHEMBL23005287 0.75 CYP1A2 (0.50) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL21222950 0.73 HSD11B1 (0.46) NR1I2HSD11B1NPC1RAB9AMAPK1
SCHEMBL1155698 0.73 TSHR (0.35) RXFP1L3MBTL1NR1I2HSD11B1NPC1
SCHEMBL11277685 0.72 ALDH1A1 (0.39) RXFP1L3MBTL1NR1I2HSD11B1NPC1
SCHEMBL19292971 0.72 RXFP1 (0.36) RXFP1L3MBTL1NR1I2HSD11B1NPC1
Hydrochloric Acid SCHEMBL23005306 0.70 HSD17B10 (0.33) RXFP1L3MBTL1NR1I2HSD11B1NPC1
SCHEMBL12877259 0.69 HSD11B1 (0.49) RXFP1L3MBTL1NR1I2HSD11B1ALDH1A1
SCHEMBL21067213 0.68 ALDH1A1 (0.39) NPC1ALDH1A1MAPTRAB9AHSD17B10
SCHEMBL7883850 0.67 KDM4E (0.48) L3MBTL1ALDH1A1MAPTHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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-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 RXFP1 458/4885L3MBTL1 873/4885NR1I2 617/4885

“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.