SCHEMBL3084329

SCHEMBL3084329

CCOC(=O)c1noc2c1CN(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.61
P2RY12 Q9H244 5/20 0.51
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
GPR142 Q7Z601 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CCR2 P41597 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3078123 0.85 MEN1 (0.50) HSP90AA1MAPTLMNATP53MEN1
SCHEMBL3724670 0.79 MEN1 (0.47) MAPTLMNATP53MEN1KMT2A
SCHEMBL3079134 0.77 HSP90AA1 (0.73) HSP90AA1MAPTLMNATP53MEN1
SCHEMBL2582148 0.76 HSP90AA1 (0.64) HSP90AA1MAPTLMNATP53MEN1
SCHEMBL3088692 0.74 GPR142 (0.47) MAPTTRPV1GPR142ALDH1A1
Hydrochloric Acid SCHEMBL3092406 0.74 GPR142 (0.47) MAPTTRPV1GPR142ALDH1A1
SCHEMBL2585248 0.73 POLB (0.46) HSP90AA1MAPTLMNATP53MEN1
SCHEMBL22624676 0.73 MAPT (0.46) HSP90AA1MAPTMEN1KMT2AGPR142
SCHEMBL25205398 0.72 MEN1 (0.56) MAPTLMNATP53MEN1KMT2A
SCHEMBL22624711 0.72 MAPT (0.45) HSP90AA1MAPTMEN1KMT2AGPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B HSP90AA1 548/4885P2RY12 115/4885MAPT 3846/4885

“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.