SCHEMBL484411

SCHEMBL484411

CN1CCN(C(=O)C2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)[C@H](NC(=O)c2ccccc2Cl)CC4)CC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 4/20 0.42
TAS1R2 Q8TE23 3/20 0.42
CTSS P25774 2/20 0.42
SPTLC2 O15270 8/20 0.42
KMT2A Q03164 2/20 0.40
BTK Q06187 1/20 0.39
MAPK1 P28482 1/20 0.38
SPTLC3 Q9NUV7 1/20 0.37

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
SCHEMBL484202 0.94 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484356 0.93 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484473 0.88 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484965 0.88 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL2815468 0.86 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484253 0.86 TAS1R3 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL2819032 0.85 RORC (0.38) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL485426 0.85 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484384 0.84 TAS1R3 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484814 0.84 TAS1R3 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS

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 14 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 claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 ALDH1A1 2086/4885TAS1R3 339/4885TAS1R1 107/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885TAS1R3 339/4885TAS1R1 107/4885

“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.