SCHEMBL447842

SCHEMBL447842

CN1CCC(CCOc2cc(C#N)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.48
CTSL P07711 2/20 0.48
CTSK P43235 2/20 0.48
VNN1 O95497 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MGLL Q99685 1/20 0.40
HCRTR2 O43614 7/20 0.39
HCRTR1 O43613 6/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
ABL2 P42684 1/20 0.38
EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL1626586 0.93 HRH4 (0.43) CTSSCTSLCTSKVNN1HRH3
SCHEMBL427397 0.88 SIGMAR1 (0.43) VNN1HRH3CYP11B1CYP11B2MGLL
SCHEMBL2195452 0.84 NFE2L2 (0.46) CTSSCTSLCTSKMGLL
SCHEMBL426634 0.82 CTSL (0.41) CTSSCTSLCTSKHRH3
SCHEMBL444894 0.81 SLC6A4 (0.48)
SCHEMBL450089 0.79 HRH3 (0.57) HRH3HCRTR2HCRTR1
SCHEMBL450035 0.79 CTSS (0.41) CTSSCTSLCTSKABL1SRC
SCHEMBL3427881 0.79 USP2 (0.49) CTSSCTSKHRH3
SCHEMBL450034 0.79 LOXL2 (0.49) CTSSCTSLCTSK
SCHEMBL447841 0.76 MGLL (0.50) HRH3CYP11B1CYP11B2MGLLHCRTR2

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 30 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-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CTSS 830/4885CTSL 1499/4885CTSK 1668/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CTSS 1904/4885CTSL 3165/4885CTSK 3374/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CTSS 830/4885CTSL 1499/4885CTSK 1668/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CTSS 2031/4885CTSL 3349/4885CTSK 3270/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CTSS 1945/4885CTSL 3180/4885CTSK 3057/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CTSS 830/4885CTSL 1499/4885CTSK 1668/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CTSS 1798/4885CTSL 2888/4885CTSK 2995/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CTSS 830/4885CTSL 1499/4885CTSK 1668/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CTSS 1798/4885CTSL 2888/4885CTSK 2995/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CTSS 1904/4885CTSL 3165/4885CTSK 3374/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CTSS 1945/4885CTSL 3180/4885CTSK 3057/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CTSS 1741/4885CTSL 2388/4885CTSK 3095/4885

“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.