SCHEMBL12649503

SCHEMBL12649503

CCC(=O)Nc1ccn(C)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
ALDH1A1 P00352 2/20 0.73
LMNA P02545 2/20 0.73
KDM4E B2RXH2 1/20 0.73
HTT P42858 1/20 0.73
NOTUM Q6P988 1/20 0.56
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
MAPK1 P28482 2/20 0.51
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
MAPT P10636 2/20 0.48
GRM5 P41594 1/20 0.46
CTSK P43235 1/20 0.43
TSHR P16473 1/20 0.42
PIK3CA P42336 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL19116503 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL9233576 0.81 LMNA (0.61) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL18618750 0.80 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL26789475 0.80 KDM4E (0.49) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL2629347 0.79 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL18421576 0.79 NPC1 (0.65) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL13472630 0.79 NPC1 (0.63) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL8368020 0.79 MAPK1 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL31517631 0.79 MAPT (0.49) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL13817564 0.79 CACNA1G (0.68) SMN1; SMN2ALDH1A1LMNAKDM4EHTT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 US disclosed
US-8288540-B2 2-heteroarylamino-pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2012-10-16 US disclosed
US-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
US-20110059953-A1 COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS MEDICAL RESEARCH COUNCIL (GB) 2011-03-10 US disclosed
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
WO-2009136175-A1 COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS MEDICAL RESEARCH COUNCIL (GB) 2009-11-12 WO disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 US disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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 (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-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SMN1; SMN2 4559/4885ALDH1A1 1472/4885LMNA 710/4885
US-20110059953-A1 COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS TP53, TP53BP1, MDM2 SMN1; SMN2 3355/4885ALDH1A1 3561/4885LMNA 2034/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SMN1; SMN2 4559/4885ALDH1A1 1472/4885LMNA 710/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SMN1; SMN2 4559/4885ALDH1A1 1472/4885LMNA 710/4885
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS FYN, LCK, ERBB2 SMN1; SMN2 2345/4885ALDH1A1 3888/4885LMNA 4877/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE SMN1; SMN2 4559/4885ALDH1A1 1472/4885LMNA 710/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SMN1; SMN2 4559/4885ALDH1A1 1472/4885LMNA 710/4885
US-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN SMN1; SMN2 2991/4885ALDH1A1 3255/4885LMNA 1024/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SMN1; SMN2 4559/4885ALDH1A1 1472/4885LMNA 710/4885

“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.