SCHEMBL444898

SCHEMBL444898

CC(Oc1cc(NC(=O)c2cccnc2Cl)ccc1C(C)(C)C)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GRM4 Q14833 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.39
P2RY1 P47900 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL447277 0.91 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6224680 0.88 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL444665 0.83 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL446248 0.83 KDR (0.53)
SCHEMBL444897 0.76 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL448388 0.75 KDR (0.54)
SCHEMBL444353 0.74 KDR (0.55)
Hydrochloric Acid SCHEMBL447165 0.74 KDR (0.54)
SCHEMBL6105357 0.73 POLB (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3893122 0.73 KDR (0.54) MAPTSMN1; SMN2MEN1KMT2AKDM4E

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 42 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
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF 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
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE 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

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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885MAPT 4232/4885SMN1; SMN2 1447/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALDH1A1 261/4885MAPT 4734/4885SMN1; SMN2 2090/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALDH1A1 327/4885MAPT 4726/4885SMN1; SMN2 1829/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885MAPT 4084/4885SMN1; SMN2 2424/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALDH1A1 192/4885MAPT 2262/4885SMN1; SMN2 1788/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885MAPT 4084/4885SMN1; SMN2 2424/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALDH1A1 192/4885MAPT 2262/4885SMN1; SMN2 1788/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALDH1A1 327/4885MAPT 4726/4885SMN1; SMN2 1829/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 ALDH1A1 104/4885MAPT 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.