SCHEMBL22444191

SCHEMBL22444191

O=C(O)[C@@H](CCCO)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
NPBWR1 P48145 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCHR1 Q99705 1/20 0.44
EPOR P19235 5/20 0.43
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
GRIK1 P39086 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALOX5 P09917 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL22444192 1.00 KMT2A (0.44) KMT2AGAATSHRNPBWR1NPSR1
SCHEMBL842165 0.87 GRIK1 (0.53) KMT2AEPORMEN1GRIK1NPC1
SCHEMBL29766190 0.85 EPOR (0.54) EPORGRIK1
SCHEMBL841611 0.85 ALOX5 (0.50) EPORGRIK1ALOX5
SCHEMBL840672 0.85 LMNA (0.46) KMT2AEPORMEN1NPC1RAB9A
SCHEMBL841385 0.85 LMNA (0.46) KMT2AEPORMEN1NPC1RAB9A
SCHEMBL2723866 0.84 EPOR (0.59) EPORGRIK1
SCHEMBL5270424 0.84 HDAC3 (0.50) KMT2AGAATSHRNPBWR1NPSR1
SCHEMBL2723861 0.84 EPOR (0.59) EPORGRIK1
SCHEMBL5270435 0.84 HDAC3 (0.50) KMT2AGAATSHRNPBWR1NPSR1

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
US-20220194920-A1 HETEROARYL(HETEROCYCLYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2022-06-23 US disclosed
EP-3941913-A1 HETEROARYL(HETEROCYCLYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA Atrogi AB (SE) 2022-01-26 EP disclosed
WO-2020188299-A1 HETEROARYL(HETEROCYCLYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2020-09-24 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 (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-20220194920-A1 HETEROARYL(HETEROCYCLYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA SLC5A1, GPR119, SLC5A2 KMT2A 1713/4885GAA 336/4885TSHR 1551/4885

“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.