SCHEMBL484901

SCHEMBL484901

CC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(=O)O)CC3)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 16/20 0.36
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL4474136 0.84 SIGMAR1 (0.43) SIGMAR1HRH3
SCHEMBL13131030 0.84 SIGMAR1 (0.35) SIGMAR1HRH3
SCHEMBL485035 0.83 GPR119 (0.44) HRH3
SCHEMBL484973 0.81 HRH3 (0.43) HRH3
SCHEMBL4472237 0.81 SIGMAR1 (0.40) SIGMAR1HRH3
SCHEMBL14996481 0.80 SIGMAR1 (0.33) SIGMAR1
SCHEMBL2521200 0.79 HRH3 (0.41) HRH3CTSBCTSSCTSK
SCHEMBL2629502 0.76 OPRL1 (0.34) SIGMAR1HRH3
SCHEMBL13168035 0.76 KMT2A (0.35) SIGMAR1
SCHEMBL13131244 0.75 HRH3 (0.35) SIGMAR1HRH3

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 SIGMAR1 572/4885HRH3 93/4885CTSB 2454/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SIGMAR1 572/4885HRH3 93/4885CTSB 2454/4885

“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.