SCHEMBL448065

SCHEMBL448065

CN1CCC(CN2CC(C)(C)c3ccc(N)cc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.40
OPRK1 P41145 7/20 0.40
OPRM1 P35372 6/20 0.37
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
RAD52 P43351 1/20 0.34
DRD1 P21728 1/20 0.34
NCF1 P14598 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
GAA P10253 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL11914456 0.89 OPRD1 (0.37) OPRD1OPRK1OPRM1SLC22A12
SCHEMBL428104 0.86 OPRD1 (0.41) OPRD1OPRK1OPRM1SLC22A12OPRL1
SCHEMBL3894046 0.85 OPRD1 (0.37) OPRD1OPRK1OPRM1SLC22A12
SCHEMBL4102749 0.81 ACHE (0.47) MAPTKMT2A
SCHEMBL444980 0.79 NR1H2 (0.45) KDM4E
SCHEMBL445072 0.77 HTR1D (0.36) OPRD1OPRK1OPRM1HTR1DHTR1B
SCHEMBL5628091 0.77 CYP1A2 (0.31)
SCHEMBL11988460 0.74 DRD2 (0.36) MAPTGAAKMT2A
SCHEMBL2481350 0.72 SLC22A12 (0.38) KDM4EMAPTSLC22A12ATAD2KMT2A
SCHEMBL4000282 0.71 ALDH1A1 (0.35) KDM4EMAPTRAD52GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 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-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 (9 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC OPRD1 2378/4885OPRK1 1232/4885OPRM1 893/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO OPRD1 2294/4885OPRK1 1476/4885OPRM1 1123/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO OPRD1 2051/4885OPRK1 1315/4885OPRM1 894/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR OPRD1 2403/4885OPRK1 1667/4885OPRM1 1442/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 OPRD1 2775/4885OPRK1 1232/4885OPRM1 1557/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR OPRD1 2403/4885OPRK1 1667/4885OPRM1 1442/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 OPRD1 2775/4885OPRK1 1232/4885OPRM1 1557/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO OPRD1 2051/4885OPRK1 1315/4885OPRM1 894/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 OPRD1 1609/4885OPRK1 1120/4885OPRM1 1322/4885

“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.