SCHEMBL3109604

SCHEMBL3109604

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

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.78
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
RAB9A P51151 1/20 0.63
ATM Q13315 1/20 0.63
HRH4 Q9H3N8 7/20 0.63
HRH3 Q9Y5N1 3/20 0.63
HRH1 P35367 1/20 0.63
POLB P06746 1/20 0.53

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
SCHEMBL13173652 0.96 AKR1C3 (0.73) AKR1C3KMT2AMEN1RAB9AATM
SCHEMBL13174668 0.91 AKR1C3 (0.74) AKR1C3KMT2AMEN1RAB9AATM
SCHEMBL13100341 0.90 KMT2A (0.65) AKR1C3KMT2AMEN1RAB9AATM
SCHEMBL13356146 0.89 AKR1C3 (0.64) AKR1C3KMT2AMEN1RAB9AATM
SCHEMBL3104370 0.88 AKR1C3 (1.00) AKR1C3KMT2AMEN1RAB9AHRH4
SCHEMBL3112510 0.88 AKR1C3 (0.80) AKR1C3KMT2AMEN1HRH4
SCHEMBL3095191 0.87 AKR1C3 (0.78) AKR1C3KMT2AMEN1RAB9AHRH4
SCHEMBL3106364 0.87 AKR1C3 (0.78) AKR1C3KMT2AMEN1RAB9AATM
SCHEMBL3089444 0.87 AKR1C3 (0.78) AKR1C3KMT2AMEN1RAB9AHRH4
SCHEMBL3106490 0.87 AKR1C3 (0.78) AKR1C3KMT2AMEN1HRH4

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 14 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
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.