SCHEMBL446436

SCHEMBL446436

CC1(C)CCC(C)(C)c2cc(NC(=O)c3cccnc3Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CYP26A1 O43174 3/20 0.54
RARA P10276 3/20 0.54
RARB P10826 3/20 0.54
RARG P13631 3/20 0.54
CYP3A4 P08684 2/20 0.54
PGR P06401 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
TBXA2R P21731 1/20 0.54
BLVRB P30043 1/20 0.54
ALDH1A1 P00352 7/20 0.54
HTT P42858 2/20 0.53
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP26B1 Q9NR63 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL444493 0.80 CIT (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16007536 0.79 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL448334 0.78 KDR (0.75)
SCHEMBL9446451 0.78 RARA (0.60) MAPTSMN1; SMN2MEN1KMT2ACYP26A1
SCHEMBL450263 0.77 KMT2A (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3905888 0.75 MEN1 (0.72) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23367919 0.75 ALDH1A1 (0.64) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1499710 0.75 MAPT (0.70) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9651972 0.74 KDM4E (0.52) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3892506 0.74 KDR (0.66) MAPTSMN1; SMN2MEN1KMT2ACYP26A1

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 34 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
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO 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 (11 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 MAPT 4084/4885SMN1; SMN2 2424/4885MEN1 2237/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC MAPT 4232/4885SMN1; SMN2 1447/4885MEN1 846/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885SMN1; SMN2 2424/4885MEN1 2237/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO MAPT 4734/4885SMN1; SMN2 2090/4885MEN1 1464/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885SMN1; SMN2 1829/4885MEN1 1584/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885SMN1; SMN2 2424/4885MEN1 2237/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885SMN1; SMN2 1788/4885MEN1 664/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR MAPT 4084/4885SMN1; SMN2 2424/4885MEN1 2237/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MAPT 2262/4885SMN1; SMN2 1788/4885MEN1 664/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885SMN1; SMN2 1829/4885MEN1 1584/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 MAPT 3731/4885SMN1; SMN2 2577/4885MEN1 1555/4885

“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.