SCHEMBL444846

SCHEMBL444846

CC(C)N1CCC(COc2cc(N)ccc2C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.41
RBP4 P02753 1/20 0.36
TTR P02766 1/20 0.36
P2RY1 P47900 1/20 0.35
SLC6A4 P31645 3/20 0.34
DCPS Q96C86 1/20 0.34
FFAR1 O14842 1/20 0.34
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL444815 0.87 NR1H2 (0.39) HRH3RBP4TTRSLC6A4HTR2A
SCHEMBL449803 0.83 HRH3 (0.51) HRH3
SCHEMBL4369776 0.80 HRH3 (0.44) HRH3SLC6A4DCPS
SCHEMBL4368887 0.76 CHRNB4 (0.49)
SCHEMBL5420654 0.76 CHRNB4 (0.49)
SCHEMBL4368885 0.76 CHRNB4 (0.49)
SCHEMBL426849 0.74 EGFR (0.45) HRH3RBP4TTRSLC6A4HTR2A
SCHEMBL446531 0.73 RBP4 (0.41) HRH3RBP4HTR2AHTR7HTR6
SCHEMBL6894213 0.73 HRH3 (0.44) HRH3
SCHEMBL446390 0.73 ALDH1A1 (0.41)

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 32 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-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-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
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 HRH3 496/4885RBP4 2973/4885TTR 1699/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC HRH3 403/4885RBP4 4144/4885TTR 2569/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HRH3 496/4885RBP4 2973/4885TTR 1699/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HRH3 485/4885RBP4 4015/4885TTR 3620/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HRH3 452/4885RBP4 3762/4885TTR 3161/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HRH3 496/4885RBP4 2973/4885TTR 1699/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HRH3 191/4885RBP4 4070/4885TTR 3538/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 HRH3 1126/4885RBP4 3478/4885TTR 3158/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HRH3 496/4885RBP4 2973/4885TTR 1699/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HRH3 191/4885RBP4 4070/4885TTR 3538/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HRH3 452/4885RBP4 3762/4885TTR 3161/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 HRH3 107/4885RBP4 3030/4885TTR 3328/4885

“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.