SCHEMBL427399

SCHEMBL427399

Cc1cc(N)cc(CCCN(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 12/20 0.51
NOS3 P29474 8/20 0.51
NOS2 P35228 6/20 0.51
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL15077303 0.89 ALDH1A1 (0.48) NOS1NOS3NOS2ALDH1A1TSHR
SCHEMBL11564261 0.78 TAAR1 (0.50) NOS1NOS3NOS2HRH3
SCHEMBL2174853 0.76 ALDH1A1 (0.52) NOS1NOS3NOS2ALDH1A1TSHR
SCHEMBL445763 0.76 TACR1 (0.44) NOS1NOS3NOS2
SCHEMBL10775544 0.76 PTGS2 (0.50) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL787937 0.75 TACR1 (0.43) NOS1NOS3NOS2
SCHEMBL4633328 0.74 MAOA (0.55) NOS1NOS3NOS2SIGMAR1
SCHEMBL7737459 0.74 ALDH1A1 (0.55) NOS1NOS3NOS2ALDH1A1TSHR
SCHEMBL28239563 0.74 NOS1 (0.50) NOS1NOS3NOS2ALDH1A1TSHR
SCHEMBL10104415 0.74 TACR1 (0.45) NOS1NOS3NOS2

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 11 patents. 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
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
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-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 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 (4 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NOS1 216/4885NOS3 108/4885NOS2 97/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS NOS1 444/4885NOS3 240/4885NOS2 227/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NOS1 216/4885NOS3 108/4885NOS2 97/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 NOS1 35/4885NOS3 33/4885NOS2 15/4885

“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.