SCHEMBL3095191

SCHEMBL3095191

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

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.78
HRH4 Q9H3N8 2/20 0.63
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL3112510 0.88 AKR1C3 (0.80) AKR1C3HRH4GRIN2DGRIN3BGRIN1
SCHEMBL3104370 0.88 AKR1C3 (1.00) AKR1C3HRH4GRIN2DGRIN3BGRIN1
SCHEMBL13100332 0.87 AKR1C3 (0.76) AKR1C3HRH4GRIN2DGRIN3BGRIN1
SCHEMBL3109604 0.87 AKR1C3 (0.78) AKR1C3HRH4MEN1KMT2APOLB
SCHEMBL3106364 0.87 AKR1C3 (0.78) AKR1C3HRH4GRIN2DGRIN3BGRIN1
SCHEMBL3089444 0.87 AKR1C3 (0.78) AKR1C3HRH4GRIN2DGRIN3BGRIN1
SCHEMBL3106490 0.87 AKR1C3 (0.78) AKR1C3HRH4GRIN2DGRIN3BGRIN1
SCHEMBL13109062 0.87 AKR1C3 (0.78) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11981692 0.86 AKR1C3 (0.77) AKR1C3HRH4GRIN2DGRIN3BGRIN1
SCHEMBL13174377 0.86 AKR1C3 (0.77) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2010101127-A1 INDOLE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 WO 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 72/4885HRH4 481/4885GRIN2D 1525/4885

“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.