SCHEMBL485219

SCHEMBL485219

COC(=O)c1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.45
SPTLC2 O15270 7/20 0.44
KMT2A Q03164 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
SPTLC3 Q9NUV7 1/20 0.39

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
SCHEMBL485985 0.89 PYGL (0.46) NPC1RAB9AALDH1A1SPTLC2KMT2A
SCHEMBL15235436 0.89 PYGL (0.46) NPC1RAB9AALDH1A1SPTLC2KMT2A
SCHEMBL784965 0.81 ALDH1A1 (0.58) WDR5NPC1RAB9APOLBPKM
SCHEMBL803549 0.81 ALDH1A1 (0.58) WDR5NPC1RAB9APOLBPKM
SCHEMBL484334 0.81 ALDH1A1 (0.58) WDR5NPC1RAB9APOLBPKM
SCHEMBL803557 0.79 ALDH1A1 (0.68) ALDH1A1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL2819919 0.79 ALDH1A1 (0.68) ALDH1A1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL484594 0.79 WDR5 (0.47) WDR5NPC1RAB9APOLBPKM
SCHEMBL13131606 0.78 ALDH1A1 (0.64) ALDH1A1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL784805 0.76 TAS1R3 (0.58) WDR5NPC1RAB9APOLBPKM

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 12 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-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
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 WDR5 1762/4885NPC1 1121/4885RAB9A 678/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885NPC1 1121/4885RAB9A 678/4885

“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.