SCHEMBL289645

SCHEMBL289645

COC(=O)c1ccc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)CC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.55
ITGA2B P08514 7/20 0.55
ACACA Q13085 8/20 0.55
ACACB O00763 6/20 0.55
PKM P14618 1/20 0.48
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL25315488 0.91 ACACB (0.46) ITGB3ITGA2BACACAACACBPKM
SCHEMBL25315090 0.90 ACACB (0.47) ITGB3ITGA2BACACAACACBPKM
SCHEMBL10111315 0.87 ITGB3 (0.54) ITGB3ITGA2BACACAACACBGPR119
SCHEMBL25313895 0.83 CYP3A4 (0.58) PKMGPR119
SCHEMBL21753329 0.83 ACACA (0.53) ITGB3ITGA2BACACAACACBJAK2
SCHEMBL2695429 0.82 HDAC1 (0.53) ITGB3ITGA2BPKMJAK2JAK1
SCHEMBL18319201 0.82 OPRM1 (0.56) ITGB3ITGA2BACACAACACBPKM
SCHEMBL10127145 0.81 ACACB (0.53) ITGB3ITGA2BACACAACACB
SCHEMBL675555 0.80 PKM (0.47) PKMJAK2JAK1
SCHEMBL2301444 0.80 ITGB3 (0.50) ITGB3ITGA2BACACAACACBHDAC1

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
EP-2427465-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 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-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 ITGB3 2791/4885ITGA2B 1602/4885ACACA 425/4885

“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.