SCHEMBL447202

SCHEMBL447202

CC(C)(C)OC(=O)N1CCN(Cc2cc(N)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
MGLL Q99685 5/20 0.49
TACR1 P25103 2/20 0.48
USP2 O75604 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
STS P08842 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DDR1 Q08345 1/20 0.42
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 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
SCHEMBL15560793 0.89 TACR1 (0.46) CYP2D6TSHRMGLLTACR1CYP1A2
SCHEMBL20151867 0.88 TSHR (0.58) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL20137044 0.87 CYP2D6 (0.54) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL19974330 0.86 CYP2D6 (0.53) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL7858026 0.86 IDO1 (0.46) CYP2D6TSHRMGLLCYP2C19CYP2C9
SCHEMBL30560058 0.86 IDO1 (0.46) CYP2D6TSHRMGLLCYP2C19CYP2C9
SCHEMBL20137136 0.85 CYP2D6 (0.52) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL20503443 0.83 CYP2D6 (0.50) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL23795671 0.83 USP2 (0.50) CYP2D6TSHRMGLLUSP2CYP1A2
SCHEMBL8535869 0.82 FAAH (0.60) MGLLTACR1ALDH1A1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US claimed
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-18 US disclosed
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-18 US disclosed
US-20220127260-A1 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (10 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-20220127260-A1 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 CYP2D6 223/4885TSHR 1311/4885MGLL 4744/4885
US-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP2D6 41/4885TSHR 2541/4885MGLL 2430/4885
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 CYP2D6 223/4885TSHR 1311/4885MGLL 4744/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CYP2D6 146/4885TSHR 3229/4885MGLL 1300/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CYP2D6 204/4885TSHR 2895/4885MGLL 1124/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP2D6 41/4885TSHR 2541/4885MGLL 2430/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP2D6 310/4885TSHR 3190/4885MGLL 2836/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP2D6 41/4885TSHR 2541/4885MGLL 2430/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP2D6 310/4885TSHR 3190/4885MGLL 2836/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CYP2D6 204/4885TSHR 2895/4885MGLL 1124/4885

“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.