SCHEMBL10127145

SCHEMBL10127145

COC(=O)c1ccc(N2CC3(CCCCC3)CC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
ITGB3 P05106 6/20 0.47
ITGA2B P08514 6/20 0.47
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CYP11B2 P19099 1/20 0.40
SSTR5 P35346 1/20 0.40

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 0.87 ACACA (0.54) ACACBACACAITGB3ITGA2BOPRM1
Hydrochloric Acid SCHEMBL288169 0.86 ACACA (0.53) ACACBACACAITGB3ITGA2BOPRM1
SCHEMBL25313921 0.84 ACACB (0.51) ACACBACACAITGB3ITGA2BOPRM1
Hydrochloric Acid SCHEMBL25314024 0.83 ACACB (0.50) ACACBACACAITGB3ITGA2BOPRM1
SCHEMBL2943787 0.82 ALDH1A1 (0.53) NPC1LMNAHTTRAB9AALDH1A1
SCHEMBL289645 0.81 ITGB3 (0.55) ACACBACACAITGB3ITGA2B
SCHEMBL17444248 0.81 OPRL1 (0.69) ACACBACACAOPRM1OPRL1
SCHEMBL17444250 0.81 OPRL1 (0.69) ACACBACACAOPRM1OPRL1
SCHEMBL25315090 0.78 ACACB (0.47) ACACBACACAITGB3ITGA2BOPRM1
SCHEMBL599186 0.78 ACACA (0.47) ACACBACACAITGB3ITGA2BOPRM1

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 ACACB 475/4885ACACA 425/4885ITGB3 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.