SCHEMBL6910459

SCHEMBL6910459

CC(C)(C)OC(=O)N1CCC(CCC=O)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.56
CCR5 P51681 6/20 0.55
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.49
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
GPR119 Q8TDV5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HSD11B1 P28845 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
STS P08842 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
SCHEMBL3272198 0.88 TACR1 (0.58) TACR1CCR5TSHRALOX15ATM
SCHEMBL10246265 0.87 NAMPT (0.48) TACR1CCR5OPRD1OPRK1GPR119
SCHEMBL16565515 0.86 TACR1 (0.59) TACR1CCR5TSHRALOX15ATM
SCHEMBL17886657 0.86 TACR1 (0.59) TACR1CCR5TSHRALOX15ATM
SCHEMBL2270783 0.84 TACR1 (0.61) TACR1CCR5TSHRALOX15ATM
SCHEMBL3277361 0.83 TACR1 (0.53) TACR1CCR5TSHRALOX15ATM
SCHEMBL13543969 0.83 CCR5 (0.53) TACR1CCR5ATMOPRD1OPRK1
SCHEMBL11919548 0.83 CCR5 (0.49) TACR1CCR5TSHRALOX15ATM
SCHEMBL557992 0.83 TACR1 (0.60) TACR1CCR5TSHRALOX15ATM
SCHEMBL19226428 0.83 TACR1 (0.60) TACR1CCR5TSHRALOX15ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488028-B1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2020-08-19 EP disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 WO disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 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-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, TP53BP1, MDM2 TACR1 4615/4885CCR5 4148/4885TSHR 4795/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 TACR1 4671/4885CCR5 4143/4885TSHR 4795/4885

“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.