SCHEMBL484427

SCHEMBL484427

COC(=O)c1ccc2c(c1)C(N(CC(F)(F)F)C(=O)c1ccccc1Cl)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
WDR5 P61964 1/20 0.38
KMT2A Q03164 3/20 0.38
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
PDK2 Q15119 3/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
TAS1R2 Q8TE23 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL484428 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL2822146 0.89 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SLC6A9SLC6A5
SCHEMBL803508 0.89 WDR5 (0.41) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL484953 0.89 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SLC6A9SLC6A5
SCHEMBL785647 0.86 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL785646 0.86 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL13131594 0.84 WDR5 (0.41) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL803190 0.83 HPGD (0.46) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL13131593 0.83 HPGD (0.46) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL803219 0.83 WDR5 (0.41) WDR5NPC1POLBPKMRAB9A

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 SLC6A2 3182/4885SLC6A4 3132/4885SLC6A3 2363/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SLC6A2 3182/4885SLC6A4 3132/4885SLC6A3 2363/4885

“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.