SCHEMBL599186

SCHEMBL599186

CC(=O)OC(F)(F)F.COC(=O)c1ccc(N2CC3(CCNCC3)CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 10/20 0.47
ACACB O00763 8/20 0.47
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
SSTR5 P35346 3/20 0.37
KCNH2 Q12809 1/20 0.37
PTGDR Q13258 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL10127533 0.89 ACACA (0.54) ACACAACACBITGB3ITGA2BOPRM1
Hydrochloric Acid SCHEMBL288169 0.88 ACACA (0.53) ACACAACACBITGB3ITGA2BOPRM1
SCHEMBL23460462 0.82 ITGB3 (0.45) ACACAACACBITGB3ITGA2BSSTR5
SCHEMBL25900708 0.80 MMP2 (0.47) ACACAACACBOPRM1OPRL1KCNH2
Hydrochloric Acid SCHEMBL31501396 0.79 MMP2 (0.46) ACACAACACBOPRM1OPRL1KCNH2
SCHEMBL10127543 0.78 ACACA (0.45) ACACAACACBITGB3ITGA2BOPRM1
SCHEMBL10127145 0.78 ACACB (0.53) ACACAACACBITGB3ITGA2BOPRM1
SCHEMBL25313921 0.78 ACACB (0.51) ACACAACACBITGB3ITGA2BOPRM1
Hydrochloric Acid SCHEMBL25314024 0.77 ACACB (0.50) ACACAACACBITGB3ITGA2BOPRM1
SCHEMBL289645 0.74 ITGB3 (0.55) ACACAACACBITGB3ITGA2B

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-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 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-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 ACACA 425/4885ACACB 475/4885ITGB3 2791/4885

“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.