SCHEMBL3089436

SCHEMBL3089436

CC(C)(O)CC1CCN(C(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)CC1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.80
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
FPR2 P25090 2/20 0.55
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
HRH3 Q9Y5N1 2/20 0.51
HRH4 Q9H3N8 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
DRD3 P35462 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL13173592 0.90 AKR1C3 (0.80) AKR1C3KMT2AMEN1HRH3HRH4
Asp-9521 SCHEMBL3099404 0.89 AKR1C3 (1.00) AKR1C3KMT2AMEN1FPR2HRH3
SCHEMBL13174014 0.89 AKR1C3 (0.77) AKR1C3KMT2AMEN1FPR2HRH3
SCHEMBL13174267 0.87 AKR1C3 (0.81) AKR1C3KMT2AMEN1HRH3HRH4
SCHEMBL13100333 0.86 AKR1C3 (0.80) AKR1C3KMT2AMEN1HRH3HRH4
SCHEMBL13173656 0.85 AKR1C3 (0.79) AKR1C3KMT2AMEN1HRH3HRH4
SCHEMBL13174450 0.85 AKR1C3 (0.79) AKR1C3KMT2AMEN1GRIN2DGRIN3B
SCHEMBL13173659 0.85 AKR1C3 (0.92) AKR1C3KMT2AMEN1FPR2KDM4E
SCHEMBL11981503 0.85 AKR1C3 (0.76) AKR1C3KMT2AMEN1HRH4GRIN2D
SCHEMBL3106490 0.85 AKR1C3 (0.78) AKR1C3KMT2AMEN1HRH4GRIN2D

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513422-B2 Piperidine derivative ASTELLAS PHARMA INC. (JP) 2013-08-20 US claimed
EP-2181990-B1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2012-08-08 EP claimed
US-20100256189-A1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US claimed
EP-2181990-A1 PIPERIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-05-05 EP claimed
US-8513422-B2 Piperidine derivative ASTELLAS PHARMA INC. (JP) 2013-08-20 US disclosed
US-8513422-B2 Piperidine derivative ASTELLAS PHARMA INC. (JP) 2013-08-20 US disclosed
US-8513422-B2 Piperidine derivative ASTELLAS PHARMA INC. (JP) 2013-08-20 US disclosed
EP-2181990-B1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2012-08-08 EP disclosed
US-20100256189-A1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256189-A1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256189-A1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2181990-A1 PIPERIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-05-05 EP disclosed
EP-2181990-A1 PIPERIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-05-05 EP 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 (1 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-20100256189-A1 PIPERIDINE DERIVATIVE AR, NR5A1, CYP17A1 AKR1C3 72/4885KMT2A 1056/4885MEN1 2482/4885

“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.