SCHEMBL463221

SCHEMBL463221

C=CC(N)N1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CDK4 P11802 1/20 0.42
ALOX15 P16050 1/20 0.42
CCND1 P24385 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
GAA P10253 4/20 0.39
GFER P55789 1/20 0.39
TP53 P04637 3/20 0.38
MAPT P10636 1/20 0.38
NOTUM Q6P988 1/20 0.38
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL25333374 0.83 SLC6A2 (0.43) SLC6A2SLC6A4ALDH1A1MEN1USP2
SCHEMBL28763194 0.79 MEN1 (0.42) SLC6A2SLC6A4ALDH1A1MEN1USP2
SCHEMBL7572487 0.79 SLC6A2 (0.46) SLC6A2SLC6A4ALDH1A1MEN1USP2
SCHEMBL25112007 0.77 SLC6A2 (0.49) SLC6A2SLC6A4ALDH1A1MEN1USP2
SCHEMBL11852260 0.77 GAA (0.47) SLC6A2SLC6A4ALDH1A1MEN1USP2
SCHEMBL28241893 0.76 ALDH1A1 (0.39) SLC6A2SLC6A4ALDH1A1MEN1USP2
SCHEMBL534412 0.74 SLC6A2 (0.50) SLC6A2SLC6A4ALDH1A1MEN1USP2
SCHEMBL21255141 0.73 SLC6A2 (0.41) SLC6A2SLC6A4ALDH1A1MEN1USP2
SCHEMBL14060360 0.73 ALDH1A1 (0.46) SLC6A2SLC6A4ALDH1A1MEN1USP2
SCHEMBL11729757 0.72 SLC6A2 (0.46) SLC6A2SLC6A4ALDH1A1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405454-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF Yissum Research Development Company of The Hebrew University of Jerusalem Ltd. (IL) 2018-11-28 EP disclosed
WO-2017125932-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2017-07-27 WO 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
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles 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-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-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US 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-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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC SLC6A2 89/4885SLC6A4 224/4885ALDH1A1 389/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SLC6A2 584/4885SLC6A4 672/4885ALDH1A1 178/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO SLC6A2 563/4885SLC6A4 811/4885ALDH1A1 261/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SLC6A2 646/4885SLC6A4 936/4885ALDH1A1 327/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SLC6A2 584/4885SLC6A4 672/4885ALDH1A1 178/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SLC6A2 50/4885SLC6A4 165/4885ALDH1A1 192/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 SLC6A2 2537/4885SLC6A4 2804/4885ALDH1A1 540/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SLC6A2 584/4885SLC6A4 672/4885ALDH1A1 178/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SLC6A2 50/4885SLC6A4 165/4885ALDH1A1 192/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SLC6A2 646/4885SLC6A4 936/4885ALDH1A1 327/4885

“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.