SCHEMBL7861629

SCHEMBL7861629

CC(C)(C)OC(=O)N1CCC(N)CC1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.57
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
HDAC1 Q13547 1/20 0.46
DPP4 P27487 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
STS P08842 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
KLK7 P49862 2/20 0.41
PARP1 P09874 1/20 0.41
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7861627 1.00 TACR1 (0.57) TACR1NR1H2NR1H3HDAC1DPP4
SCHEMBL28334140 0.87 NR1H2 (0.56) NR1H2NR1H3HDAC1DPP4JAK2
SCHEMBL28334137 0.87 NR1H2 (0.56) NR1H2NR1H3HDAC1DPP4JAK2
SCHEMBL8923537 0.87 NR1H2 (0.52) TACR1NR1H2NR1H3HDAC1DPP4
SCHEMBL7860304 0.87 NR1H2 (0.52) TACR1NR1H2NR1H3HDAC1DPP4
SCHEMBL7860307 0.87 NR1H2 (0.52) TACR1NR1H2NR1H3HDAC1DPP4
SCHEMBL20571979 0.86 NR1H2 (0.49) TACR1NR1H2NR1H3HDAC1DPP4
SCHEMBL12785921 0.85 TACR1 (0.56) TACR1PKM
SCHEMBL592356 0.83 NR1H2 (0.48) TACR1NR1H2NR1H3HDAC1DPP4
SCHEMBL698218 0.83 NR1H2 (0.54) NR1H2NR1H3HDAC1DPP4STS

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-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
EP-3193605-A1 SUBSTITUTED PIPERIDINE COMPOUNDS Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016040515-A1 SUBSTITUTED PIPERIDINE COMPOUNDS Epizyme, Inc. (US) 2016-03-17 WO disclosed
EP-0869955-B1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed
US-6110939-A AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-29 US disclosed
US-5646144-A FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5541195-A SUBSTANCE P ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-07-30 US disclosed
EP-0532456-B1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
US-5310743-A Substance P antagonist CIBA-GEIGY CORP. (US) 1994-05-10 US disclosed
EP-0532456-A1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA-GEIGY AG (CH) 1993-03-17 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 (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-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 TACR1 2438/4885NR1H2 3078/4885NR1H3 3427/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 TACR1 2438/4885NR1H2 3078/4885NR1H3 3427/4885

“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.