SCHEMBL485422

SCHEMBL485422

CSc1ncccc1C(=O)N1CCC2(CCN(C(=O)c3ccc4c(c3)C(NC(=O)c3ccccc3Cl)CC4)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 2/20 0.40
SPTLC2 O15270 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 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
SCHEMBL484356 0.84 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484721 0.83 ALDH1A1 (0.42) KMT2AALDH1A1MEN1KDM4ETAS1R3
SCHEMBL2815468 0.83 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484819 0.83 CYP2D6 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484204 0.83 BDKRB1 (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484320 0.82 ALDH1A1 (0.43) KMT2AALDH1A1MEN1TAS1R3TAS1R1
SCHEMBL484531 0.82 MEN1 (0.50) KMT2AALDH1A1MEN1TAS1R3TAS1R1
SCHEMBL484640 0.82 HSD11B1 (0.47) KMT2AALDH1A1MEN1TAS1R3TAS1R1
SCHEMBL484965 0.82 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484340 0.81 CYP3A4 (0.52) KMT2AALDH1A1MEN1TAS1R3TAS1R1

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
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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO claimed
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-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN KMT2A 2136/4885ALDH1A1 2086/4885MEN1 901/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN KMT2A 2136/4885ALDH1A1 2086/4885MEN1 901/4885

“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.