SCHEMBL485026

SCHEMBL485026

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
NQO2 P16083 6/20 0.46
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
BDKRB1 P46663 3/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL485027 1.00 MEN1 (0.48) MEN1KMT2AMAPTNQO2MTNR1A
SCHEMBL803235 0.91 KMT2A (0.47) MEN1KMT2AMAPTNQO2MTNR1A
SCHEMBL803536 0.89 KMT2A (0.49) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL484623 0.86 HTR1A (0.43) NQO2MTNR1AMTNR1BPDE4APDE4B
SCHEMBL14996320 0.84 KMT2A (0.52) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL9630654 0.84 MTNR1A (0.65) NQO2MTNR1AMTNR1BPDE4APDE4B
SCHEMBL5738480 0.81 HTR1A (0.42) MAPTNQO2MTNR1AMTNR1BPDE4A
SCHEMBL484719 0.81 CHRNB2 (0.46) MEN1KMT2AMAPTNQO2MTNR1A
SCHEMBL803192 0.81 PDE4A (0.52) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL484424 0.81 KMT2A (0.47) MEN1KMT2AMAPTPDE4APDE4B

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 MEN1 901/4885KMT2A 2136/4885MAPT 4634/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MEN1 901/4885KMT2A 2136/4885MAPT 4634/4885

“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.