SCHEMBL449503

SCHEMBL449503

CN1CCC(Cc2cc(N)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.39
SLC6A4 P31645 3/20 0.38
SOS1 Q07889 1/20 0.38
SLC6A2 P23975 1/20 0.38
APAF1 O14727 2/20 0.37
UBE2N P61088 2/20 0.37
IDE P14735 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TACR1 P25103 3/20 0.37
MET P08581 1/20 0.36
NCF1 P14598 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NR1H2 P55055 1/20 0.35
ATM Q13315 1/20 0.35
GALR3 O60755 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL12960907 0.90 TACR1 (0.41) SLC6A4SLC6A2APAF1IDETACR1
SCHEMBL426937 0.84 FFAR4 (0.39) SLC6A4SLC6A2TACR1ALDH1A1HRH4
SCHEMBL24507815 0.81 NR1D2 (0.41) NCF1HRH4HRH3CCR3
SCHEMBL25802937 0.81 HTR1A (0.43) SLC6A4
SCHEMBL11986976 0.78 ALDH1A1 (0.51) SLC6A4SLC6A2ALDH1A1GALR3
SCHEMBL12677062 0.77 SLC6A2 (0.53) RPS6KB1SLC6A4SLC6A2ALDH1A1CCR3
SCHEMBL29658331 0.77 RBP4 (0.43) ALDH1A1
SCHEMBL28735359 0.77 RBP4 (0.43) ALDH1A1
SCHEMBL545449 0.77 LMNA (0.53) NCF1ALDH1A1NR1H2
SCHEMBL29777509 0.77 LMNA (0.53) NCF1ALDH1A1NR1H2

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 44 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-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
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-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-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-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 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 RPS6KB1 4382/4885SLC6A4 224/4885SOS1 3018/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO RPS6KB1 4195/4885SLC6A4 811/4885SOS1 3625/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RPS6KB1 3955/4885SLC6A4 936/4885SOS1 3709/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RPS6KB1 3925/4885SLC6A4 672/4885SOS1 2806/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RPS6KB1 3747/4885SLC6A4 165/4885SOS1 2384/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 RPS6KB1 3032/4885SLC6A4 2804/4885SOS1 3395/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RPS6KB1 3925/4885SLC6A4 672/4885SOS1 2806/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RPS6KB1 3747/4885SLC6A4 165/4885SOS1 2384/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RPS6KB1 3955/4885SLC6A4 936/4885SOS1 3709/4885

“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.