SCHEMBL447805

SCHEMBL447805

O=C(Nc1ccc(C(F)(F)F)c(OCCN2CCCC2)c1)c1cccnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RXFP1 Q9HBX9 2/20 0.53
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 1/20 0.51
HTR2A P28223 4/20 0.49
HTR2C P28335 4/20 0.49
KDR P35968 3/20 0.46
MCHR1 Q99705 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7017655 1.00 MAPT (0.53) MAPTSMN1; SMN2RXFP1ALDH1A1RAB9A
SCHEMBL448263 0.92 MAPT (0.53) MAPTSMN1; SMN2RXFP1ALDH1A1RAB9A
SCHEMBL7017437 0.89 KDR (0.53) MAPTSMN1; SMN2RXFP1ALDH1A1RAB9A
SCHEMBL187245 0.83 KDR (0.63) KDR
SCHEMBL4977053 0.83 RXFP1 (0.50) RXFP1HTR2AHTR2CKDRMCHR1
SCHEMBL444952 0.83 KDR (0.62) RXFP1KDR
SCHEMBL6105803 0.83 KDR (0.53) MAPTRXFP1ALDH1A1HTR2AHTR2C
Hydrochloric Acid SCHEMBL445342 0.83 KDR (0.62) KDR
SCHEMBL3140381 0.81 KDR (0.50) RXFP1HTR2AHTR2CKDR
SCHEMBL446570 0.81 RXFP1 (0.50) MAPTRXFP1HTR2AHTR2CKDR

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-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
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-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO 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 (8 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO MAPT 4734/4885SMN1; SMN2 2090/4885RXFP1 1951/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885SMN1; SMN2 1829/4885RXFP1 1784/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885SMN1; SMN2 2424/4885RXFP1 1658/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885SMN1; SMN2 1788/4885RXFP1 1699/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885SMN1; SMN2 2424/4885RXFP1 1658/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885SMN1; SMN2 1788/4885RXFP1 1699/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885SMN1; SMN2 1829/4885RXFP1 1784/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 MAPT 3731/4885SMN1; SMN2 2577/4885RXFP1 360/4885

“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.