SCHEMBL484719

SCHEMBL484719

COC(=O)c1ccc2c(c1)[C@H](NCC(F)(F)F)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
ACHE P22303 8/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
NQO2 P16083 4/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
BCHE P06276 1/20 0.40
NOTUM Q6P988 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
SCHEMBL484717 1.00 CHRNB2 (0.46) CHRNB2CHRNA4ACHEMEN1MAPT
SCHEMBL484566 0.86 MAOA (0.41) ACHEMAOAMAOBBCHE
SCHEMBL27920400 0.85 ACHE (0.58) CHRNB2CHRNA4ACHEMEN1MAPT
SCHEMBL803477 0.85 ACHE (0.58) CHRNB2CHRNA4ACHEMEN1MAPT
SCHEMBL785602 0.82 MEN1 (0.46) CHRNB2CHRNA4ACHEMEN1MAPT
SCHEMBL785601 0.82 MEN1 (0.46) CHRNB2CHRNA4ACHEMEN1MAPT
SCHEMBL485027 0.81 MEN1 (0.48) CHRNB2CHRNA4MEN1MAPTKMT2A
SCHEMBL485026 0.81 MEN1 (0.48) CHRNB2CHRNA4MEN1MAPTKMT2A
SCHEMBL803235 0.81 KMT2A (0.47) CHRNB2CHRNA4MEN1MAPTKMT2A
SCHEMBL484905 0.80 ACHE (0.55) CHRNB2CHRNA4ACHEMEN1MAPT

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 CHRNB2 2614/4885CHRNA4 2104/4885ACHE 3999/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CHRNB2 2614/4885CHRNA4 2104/4885ACHE 3999/4885

“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.