SCHEMBL599707

SCHEMBL599707

COC(=O)CN1CC2(CCN(C(=O)OC(C)(C)C)CC2)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
GPR119 Q8TDV5 6/20 0.38
HDAC2 Q92769 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CYP11B2 P19099 1/20 0.37
ACACB O00763 2/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10111390 0.86 USP2 (0.41) NAMPTHDAC1HDAC8HDAC6GPR119
SCHEMBL21068409 0.80 CYP2D6 (0.43) NAMPTHDAC1GPR119HDAC2CYP11B2
SCHEMBL3495197 0.80 USP2 (0.42) NAMPTGPR119CYP11B2ACACBUSP2
SCHEMBL31116711 0.79 CYP2D6 (0.45) HDAC1GPR119HDAC2CYP11B2ACACB
SCHEMBL2695429 0.79 HDAC1 (0.53) NAMPTHDAC1HDAC8HDAC6ITGB3
SCHEMBL29921574 0.78 CYP11B2 (0.44) NAMPTHDAC1GPR119HDAC2ITGB3
SCHEMBL25967353 0.78 USP2 (0.43) NAMPTHDAC1GPR119HDAC2ITGB3
SCHEMBL21068971 0.78 CYP2D6 (0.50) NAMPTGPR119USP2SMN1; SMN2
SCHEMBL12447685 0.78 OPRD1 (0.51) HDAC1HDAC8HDAC6GPR119CYP11B2
SCHEMBL22770534 0.78 ALDH1A1 (0.46) HDAC1HDAC8HDAC6GPR119USP2

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 2 patents. 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
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 NAMPT 3431/4885HDAC1 808/4885HDAC8 1417/4885

“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.