SCHEMBL12616624

SCHEMBL12616624

CC[C@@H]1CN(C)CC[C@@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
NEK2 P51955 2/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 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
SCHEMBL14611417 0.85 ALDH1A1 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL14382124 0.85 ALDH1A1 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL12616491 0.85 ALDH1A1 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL18845660 0.82 GABRR1 (0.34) ALDH1A1
SCHEMBL18842320 0.82 GABRR1 (0.34) ALDH1A1
SCHEMBL18845617 0.82 GABRR1 (0.34) ALDH1A1
SCHEMBL18842330 0.82 GABRR1 (0.34) ALDH1A1
SCHEMBL15592009 0.79 ALDH1A1 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL14569618 0.78 ALDH1A1 (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL19010968 0.76 AKR1C4 (0.36)

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-7951793-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-31 US disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 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-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD PYM1, GPR119, GLP1R ALDH1A1 4235/4885NEK2 3511/4885SLC6A2 2240/4885

“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.