SCHEMBL2818946

SCHEMBL2818946

O=C(O)N1CCC2(CCC(C(=O)N3CCCC3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
ITGB3 P05106 8/20 0.52
ITGA2B P08514 8/20 0.52
GRM5 P41594 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL484763 0.85 HTT (0.53) HPGDITGB3ITGA2BALDH1A1TSHR
SCHEMBL14996487 0.83 HTT (0.57) HPGDITGB3ITGA2BGRM5ALDH1A1
SCHEMBL18046881 0.82 ITGB3 (0.54) ITGB3ITGA2BGRM5TSHRLMNA
SCHEMBL27752273 0.80 HPGD (0.72) HPGDGRM5ALDH1A1TSHRSMN1; SMN2
SCHEMBL22394198 0.79 GRM5 (0.63) HPGDITGB3ITGA2BGRM5ALDH1A1
SCHEMBL13131245 0.79 CHRNB2 (0.56) HPGDITGB3ITGA2BGRM5ALDH1A1
SCHEMBL13131026 0.79 HPGD (0.50) HPGDITGB3ITGA2BGRM5ALDH1A1
Hydrochloric Acid SCHEMBL485406 0.78 CHRNB2 (0.55) HPGDITGB3ITGA2BGRM5ALDH1A1
SCHEMBL2677418 0.78 ALDH1A1 (0.48) HPGDITGB3ITGA2BGRM5ALDH1A1
SCHEMBL493733 0.77 HPGD (0.61) HPGDGRM5ALDH1A1TSHRSMN1; SMN2

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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HPGD 386/4885ITGB3 3292/4885ITGA2B 3190/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HPGD 386/4885ITGB3 3292/4885ITGA2B 3190/4885

“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.