SCHEMBL3106296

SCHEMBL3106296

Cc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)c(C)c2c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.66
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.45
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PTGS2 P35354 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13173678 0.89 PTGS2 (0.56) AKR1C3KMT2AMEN1RAB9ARXFP1
SCHEMBL13174673 0.89 AKR1C3 (0.55) AKR1C3KMT2AMEN1RAB9ARXFP1
SCHEMBL13174669 0.87 AKR1C3 (0.61) AKR1C3KMT2AMEN1MAPTKDM4E
SCHEMBL13174707 0.86 AKR1C3 (0.59) AKR1C3KMT2AMEN1MAPTKDM4E
SCHEMBL3104370 0.79 AKR1C3 (1.00) AKR1C3KMT2AMEN1RAB9ANPC1
SCHEMBL11981464 0.77 AKR1C3 (0.60) AKR1C3KMT2AMEN1RXFP1MAPT
SCHEMBL11981622 0.77 AKR1C3 (0.84) AKR1C3KMT2AMEN1RAB9ANPC1
SCHEMBL13175638 0.75 AKR1C3 (0.64) AKR1C3
SCHEMBL13173668 0.75 AKR1C3 (0.58) AKR1C3KMT2AMEN1KDM4EHPGD
SCHEMBL13174680 0.75 KMT2A (0.53) AKR1C3KMT2AMEN1RAB9AMAPT

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.