SCHEMBL1023931

SCHEMBL1023931

N#Cc1ccc(N2C3CCC2CC(NC(=O)O)C3)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.45
HSP90AB1 P08238 14/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RET P07949 1/20 0.42
DPP4 P27487 1/20 0.41
GRM4 Q14833 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL1022117 0.84 RET (0.57) HSP90AA1HSP90AB1L3MBTL1RET
SCHEMBL3154912 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL3154918 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL24296015 0.80 RET (0.47) KDM4EALDH1A1L3MBTL1RETDPP4
SCHEMBL22570975 0.80 RET (0.47) KDM4EALDH1A1L3MBTL1RETDPP4
SCHEMBL16718831 0.80 JAK2 (0.54) DPP4GRM4CHRM4KCNH2
SCHEMBL16718803 0.80 GRM4 (0.59) KDM4EALDH1A1L3MBTL1DPP4GRM4
SCHEMBL2098756 0.79 AVPR1A (0.45) HSP90AA1HSP90AB1L3MBTL1RETDPP4
SCHEMBL2098753 0.79 AVPR1A (0.45) HSP90AA1HSP90AB1L3MBTL1RETDPP4
SCHEMBL3155701 0.79 HSP90AA1 (0.60) HSP90AA1HSP90AB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118305-A1 COMPOUNDS SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
EP-1517907-B1 AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-7781455-B2 Compounds SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes SANOFI-AVENTIS (FR) 2005-07-14 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-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes DPP4, DPP8, DPP3 HSP90AA1 4266/4885HSP90AB1 3986/4885KDM4E 458/4885
US-20110118305-A1 COMPOUNDS DPP4, DPP3, DPP8 HSP90AA1 2953/4885HSP90AB1 2300/4885KDM4E 765/4885

“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.