SCHEMBL16730871

SCHEMBL16730871

CC(C)(C)OC(=O)N1CCCC1c1ccccc1-c1cncn1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
MARK3 P27448 1/20 0.55
MAP4K2 Q12851 1/20 0.55
CAMK2B Q13554 1/20 0.55
PIM3 Q86V86 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
IDO1 P14902 18/20 0.54
TDO2 P48775 4/20 0.43

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
SCHEMBL18134517 0.82 IDO1 (0.47) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL16730949 0.82 IDO1 (0.47) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL20162412 0.80 IDO1 (0.40) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL29748019 0.79 UCHL1 (0.48)
SCHEMBL29746968 0.79 UCHL1 (0.47)
SCHEMBL16730872 0.79 IDO1 (0.44) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL29747542 0.76 GPR119 (0.46)
SCHEMBL20621264 0.76 IDO1 (0.69) IDO1TDO2
SCHEMBL30649202 0.76 IDO1 (0.69) IDO1TDO2
SCHEMBL20170496 0.75 HSP90AA1 (0.56)

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
EP-3068391-B1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2018-05-23 EP claimed
US-9975888-B2 Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-22 US claimed
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US claimed
EP-3068391-B1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2018-05-23 EP disclosed
EP-3068391-B1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2018-05-23 EP disclosed
US-9975888-B2 Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-9975888-B2 Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-9975888-B2 Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
WO-2015073308-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO disclosed
WO-2015070366-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO 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-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG CYP3A43, CYP3A5, CYP3A4 PIM1 349/4885MARK3 1165/4885MAP4K2 2780/4885

“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.