Beta-Alanine

Beta-Alanine

SCHEMBL6494757

NCCC(=O)O.O=C(Oc1cccc(OC(F)(F)F)c1)N(Cc1ccccc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.51
STAT3 P40763 11/20 0.48
SERPINE1 P05121 3/20 0.42
EPHX1 P07099 1/20 0.41
CETP P11597 1/20 0.39
NR1H4 Q96RI1 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
SCHEMBL6494754 0.88 GCGR (0.60) GCGRSTAT3SERPINE1NR1H4
SCHEMBL2652974 0.86 GCGR (0.71) GCGRSTAT3
SCHEMBL4095401 0.86 GCGR (0.71) GCGRSTAT3
SCHEMBL2653512 0.82 GCGR (0.68) GCGRSTAT3
SCHEMBL6494750 0.81 STAT3 (0.42) GCGRSTAT3EPHX1CETP
SCHEMBL2654233 0.78 GCGR (0.58) GCGRSTAT3
SCHEMBL2655374 0.77 GCGR (0.80) GCGR
SCHEMBL2654610 0.76 GCGR (0.66) GCGRSTAT3
SCHEMBL2656083 0.74 GCGR (0.59) GCGRSTAT3
SCHEMBL2651179 0.73 GCGR (0.83) GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885STAT3 1079/4885SERPINE1 350/4885

“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.