SCHEMBL447335

SCHEMBL447335

CC(C)(C)OC(=O)N1CCC(CCc2cc(NC(=O)c3cccnc3Cl)ccc2C(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
NR3C1 P04150 3/20 0.44
GAA P10253 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
KDR P35968 1/20 0.42
RAB9A P51151 1/20 0.42
ACKR3 P25106 1/20 0.41

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
SCHEMBL6105357 0.87 POLB (0.51) POLBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL445738 0.85 KDR (0.51) KDR
SCHEMBL1321238 0.78 KDR (0.44) KDR
SCHEMBL444897 0.76 ALDH1A1 (0.51) POLBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL445425 0.74 KDR (0.51) KDR
SCHEMBL6899965 0.73 POLB (0.49) POLBMAPTSMN1; SMN2ALDH1A1NR3C1
SCHEMBL6288233 0.73 POLB (0.51) POLBMAPTSMN1; SMN2ALDH1A1NR3C1
SCHEMBL444971 0.73 POLB (0.51) POLBMAPTSMN1; SMN2ALDH1A1NR3C1
SCHEMBL6105193 0.72 KDR (0.45) MAPTALDH1A1KDM4EGAAKDR
SCHEMBL7274954 0.71 GPR119 (0.51) POLBKDM4EPKMGPR119

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 POLB 648/4885MAPT 4734/4885SMN1; SMN2 2090/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO POLB 655/4885MAPT 4726/4885SMN1; SMN2 1829/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR POLB 1312/4885MAPT 4084/4885SMN1; SMN2 2424/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 POLB 591/4885MAPT 2262/4885SMN1; SMN2 1788/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR POLB 1312/4885MAPT 4084/4885SMN1; SMN2 2424/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 POLB 591/4885MAPT 2262/4885SMN1; SMN2 1788/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO POLB 655/4885MAPT 4726/4885SMN1; SMN2 1829/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 POLB 1694/4885MAPT 3731/4885SMN1; SMN2 2577/4885

“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.