SCHEMBL22443535

SCHEMBL22443535

CC1(C)CC[C@@H](C(O)c2cccc(F)c2)N1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SLC6A2 P23975 3/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL22443547 1.00 CES2 (0.39) CES2CES1SLC6A2CHRNA1CHRNB1
SCHEMBL22443532 1.00 CES2 (0.39) CES2CES1SLC6A2CHRNA1CHRNB1
SCHEMBL31010947 1.00 CES2 (0.39) CES2CES1SLC6A2CHRNA1CHRNB1
SCHEMBL22443536 1.00 CES2 (0.39) CES2CES1SLC6A2CHRNA1CHRNB1
SCHEMBL22443634 1.00 CES2 (0.39) CES2CES1SLC6A2CHRNA1CHRNB1
SCHEMBL22443731 1.00 CES2 (0.39) CES2CES1SLC6A2CHRNA1CHRNB1
SCHEMBL22443636 1.00 CES2 (0.39) CES2CES1SLC6A2CHRNA1CHRNB1
SCHEMBL22443545 1.00 CES2 (0.39) CES2CES1SLC6A2CHRNA1CHRNB1
Hydrochloric Acid SCHEMBL22443587 0.99 CES2 (0.38) CES2CES1SLC6A2CHRNA1CHRNB1
Hydrochloric Acid SCHEMBL22443476 0.99 CES2 (0.38) CES2CES1SLC6A2CHRNA1CHRNB1

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-20220152004-A1 HETEROCYCLYL(PHENYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2022-05-19 US disclosed
EP-3941468-A1 HETEROCYCLYL(PHENYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA Atrogi AB (SE) 2022-01-26 EP disclosed
WO-2020188301-A1 HETEROCYCLYL(PHENYL)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-20220152004-A1 HETEROCYCLYL(PHENYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA GPR119, SLC5A1, SLC5A2 CES2 1357/4885CES1 1040/4885SLC6A2 1338/4885

“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.