SCHEMBL21246463

SCHEMBL21246463

Cc1ccc(-c2cnc(C)o2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.58
CCR5 P51681 1/20 0.58
CCR8 P51685 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
LRRK2 Q5S007 1/20 0.44
FAAH O00519 1/20 0.43
METAP2 P50579 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CA12 O43570 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CA1 P00915 4/20 0.41
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2625720 0.81 CYP1A1 (0.39) CCR1CCR5CCR8HDAC6LRRK2
SCHEMBL2625722 0.81 CA12 (0.42) CCR1CCR5CCR8HDAC6LRRK2
SCHEMBL21230285 0.81 CA12 (0.39) CCR1CCR5CCR8HDAC6LRRK2
SCHEMBL22925784 0.81 CCR1 (0.54) CCR1CCR5CCR8HDAC6LRRK2
SCHEMBL9287997 0.81 CCR1 (0.54) CCR1CCR5CCR8HDAC6FAAH
Hydrochloric Acid SCHEMBL23005288 0.79 CA12 (0.38) CCR1CCR5CCR8HDAC6LRRK2
SCHEMBL23005289 0.77 CA12 (0.36) CCR1CCR5CCR8HDAC6LRRK2
SCHEMBL9284900 0.75 CA12 (0.61) HDAC6LRRK2CA12CA2CA9
Abametapir SCHEMBL351152 0.75 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
Abametapir SCHEMBL29374261 0.75 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2

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
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
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 (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 CCR1 4701/4885CCR5 4599/4885CCR8 4862/4885
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 CCR1 4350/4885CCR5 4358/4885CCR8 4840/4885

“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.