SCHEMBL445072

SCHEMBL445072

CN1CCC(N2CC(C)(C)c3ccc(N)cc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
OPRD1 P41143 4/20 0.33
OPRK1 P41145 2/20 0.33
OPRM1 P35372 1/20 0.33
DRD1 P21728 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 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
SCHEMBL428109 0.84 CHRM2 (0.40) HTR1DHTR1BCHRM2CHRM3OPRD1
SCHEMBL4900075 0.80 HTR2C (0.47) CHRM2CHRM3SMN1; SMN2OPRD1OPRK1
SCHEMBL447289 0.79 ACHE (0.42) GAASMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL448065 0.77 OPRD1 (0.40) HTR1DHTR1BKDM4EGAAMAPT
SCHEMBL429643 0.77 HTR1D (0.50) HTR1DHTR1BKDM4EGAASMN1; SMN2
SCHEMBL5626006 0.75 CHRM2 (0.36) HTR1DHTR1BCHRM2CHRM3GAA
SCHEMBL4895464 0.75 CHRM2 (0.36) HTR1DHTR1BCHRM2CHRM3GAA
SCHEMBL4000282 0.74 ALDH1A1 (0.35) CHRM3KDM4EGAASMN1; SMN2MAPT
SCHEMBL14208735 0.72 HTR1D (0.46) HTR1DHTR1BKDM4EMAPTRAD52
SCHEMBL2675742 0.71 NOS1 (0.51) HTR1DHTR1BKDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US claimed
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-8247430-B2 Substituted aryl-amine derivatives and methods of use 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
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP 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-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTR1D 1437/4885HTR1B 587/4885CHRM2 2227/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC HTR1D 1169/4885HTR1B 417/4885CHRM2 1121/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HTR1D 1144/4885HTR1B 513/4885CHRM2 1508/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTR1D 1002/4885HTR1B 414/4885CHRM2 1690/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTR1D 1437/4885HTR1B 587/4885CHRM2 2227/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HTR1D 1602/4885HTR1B 609/4885CHRM2 1276/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTR1D 1437/4885HTR1B 587/4885CHRM2 2227/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HTR1D 1602/4885HTR1B 609/4885CHRM2 1276/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTR1D 1002/4885HTR1B 414/4885CHRM2 1690/4885

“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.