SCHEMBL16031811

SCHEMBL16031811

CC(C)(C)OC(=O)N(Cc1ccccc1)C1CNCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.50
KDM1A O60341 3/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HSD11B1 P28845 1/20 0.43
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
EZH2 Q15910 1/20 0.40
AKT1 P31749 3/20 0.39
HTR2C P28335 1/20 0.38
TACR1 P25103 4/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL16031809 1.00 CTSD (0.50) CTSDKDM1AHDAC8HDAC6HSD11B1
SCHEMBL16031812 1.00 CTSD (0.50) CTSDKDM1AHDAC8HDAC6HSD11B1
SCHEMBL6118312 0.84 CTSD (0.44) CTSDKDM1AHDAC8HDAC6HSD11B1
SCHEMBL6980390 0.83 CTSD (0.53) CTSDHSD11B1HDAC3HDAC1HDAC2
SCHEMBL14722321 0.82 KDM1A (0.45) CTSDKDM1AHDAC8HDAC6HSD11B1
SCHEMBL6128072 0.82 CTSD (0.42) CTSDKDM1AHDAC8HDAC6HSD11B1
SCHEMBL24487372 0.82 TACR1 (0.46) KDM1ATACR1MAPTPKMSSTR1
SCHEMBL13229954 0.82 TACR1 (0.46) KDM1ATACR1MAPTPKMSSTR1
SCHEMBL1421495 0.82 TACR1 (0.46) KDM1ATACR1MAPTPKMSSTR1
SCHEMBL2415075 0.82 TACR1 (0.46) KDM1ATACR1MAPTPKMSSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US 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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 CTSD 2252/4885KDM1A 2152/4885HDAC8 4067/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 CTSD 2252/4885KDM1A 2152/4885HDAC8 4067/4885

“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.