SCHEMBL484763

SCHEMBL484763

CN1CCN(C(=O)C2CCC3(CC2)CCN(C(=O)O)CC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.51
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
PPP5C P53041 2/20 0.41
PPP2CA P67775 1/20 0.41
TFPI2 P48307 1/20 0.41
NPY4R P50391 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14996485 0.90 HTT (0.59) HTTLMNAITGB3ITGA2BALDH1A1
SCHEMBL2818946 0.85 HPGD (0.55) HTTLMNAITGB3ITGA2BALDH1A1
SCHEMBL2569643 0.83 HTT (0.62) HTTLMNAALDH1A1TSHRPPP5C
SCHEMBL14996487 0.82 HTT (0.57) HTTLMNAITGB3ITGA2BALDH1A1
SCHEMBL13168273 0.82 HSD11B1 (0.56) HTTLMNAITGB3ITGA2BALDH1A1
SCHEMBL13131050 0.82 HTT (0.50) HTTLMNAITGB3ITGA2BALDH1A1
SCHEMBL4539777 0.81 HTT (0.59) HTTLMNAALDH1A1TSHRPPP5C
SCHEMBL13131241 0.81 HTT (0.53) HTTLMNAITGB3ITGA2BALDH1A1
SCHEMBL25499364 0.81 HTT (0.45) HTTLMNAITGB3ITGA2BALDH1A1
SCHEMBL2816787 0.80 HPGD (0.57) HTTLMNAITGB3ITGA2BALDH1A1

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 5 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (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 HTT 3621/4885LMNA 1187/4885ITGB3 3292/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HTT 3621/4885LMNA 1187/4885ITGB3 3292/4885

“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.