SCHEMBL4513801

SCHEMBL4513801

CCCN1CCCC(C(=O)OCC)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
KDM4E B2RXH2 7/20 0.63
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
ATM Q13315 1/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL9342470 0.91 KDM4E (0.60) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL4517151 0.91 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL7925245 0.89 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4521072 0.89 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL4514426 0.89 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL20794235 0.88 BCHE (0.68) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL7164025 0.88 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL205046 0.88 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL8871715 0.88 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL7926306 0.88 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
EP-2190836-B1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-08-17 EP 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
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-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 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
US-4739067-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-04-19 US disclosed
EP-0234011-A1 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines WARNER-LAMBERT COMPANY (US) 1987-09-02 EP disclosed
US-4650805-A 4-(1,2,5,6-Tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines having anti-psychotic activity WARNER-LAMBERT COMPANY (US) 1987-03-17 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 (7 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 ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 ALDH1A1 370/4885KDM4E 2039/4885SMN1; SMN2 2887/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885

“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.