SCHEMBL447188

SCHEMBL447188

CC1(C)CN(CC=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
KMT2A Q03164 1/20 0.38
BIRC2 Q13490 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
HTR2C P28335 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
P2RY1 P47900 1/20 0.35
ROCK1 Q13464 1/20 0.34

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
SCHEMBL27082747 0.81 NOTUM (0.35) NOTUMLMNAHTTKMT2A
SCHEMBL9136339 0.80 NOTUM (0.50) NOTUMCNR2LMNAHTTSLC6A2
SCHEMBL29833681 0.80 NOTUM (0.50) NOTUMCNR2LMNAHTTSLC6A2
SCHEMBL22346077 0.79 KMT2A (0.42) LMNAHTTKMT2ASLC22A12
Hydrochloric Acid SCHEMBL29666952 0.79 NOTUM (0.49) NOTUMCNR2SLC6A2SLC6A4BIRC2
Iodide SCHEMBL28237298 0.79 NOTUM (0.49) NOTUMCNR2LMNAHTTSLC6A2
SCHEMBL28228519 0.77 NOTUM (0.51) NOTUMCNR2SLC6A2SLC6A4KMT2A
Iodide SCHEMBL28254992 0.76 NOTUM (0.50) NOTUMCNR2SLC6A2SLC6A4KMT2A
SCHEMBL1450546 0.76 NOTUM (0.50) NOTUMCNR2SLC6A2SLC6A4BIRC2
SCHEMBL16685073 0.76 NOTUM (0.46) NOTUMCNR2SLC6A2SLC6A4KMT2A

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 23 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
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP 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-2311808-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP 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-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 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-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 (11 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 NOTUM 2149/4885CNR2 363/4885LMNA 2597/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC NOTUM 1635/4885CNR2 100/4885LMNA 1555/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOTUM 2149/4885CNR2 363/4885LMNA 2597/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO NOTUM 1596/4885CNR2 42/4885LMNA 1574/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NOTUM 2089/4885CNR2 22/4885LMNA 1409/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOTUM 2149/4885CNR2 363/4885LMNA 2597/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOTUM 2149/4885CNR2 363/4885LMNA 2597/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS NOTUM 933/4885CNR2 804/4885LMNA 2910/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC NOTUM 1635/4885CNR2 100/4885LMNA 1555/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NOTUM 2089/4885CNR2 22/4885LMNA 1409/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO NOTUM 1596/4885CNR2 42/4885LMNA 1574/4885

“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.