SCHEMBL1734153

SCHEMBL1734153

COC(=O)C1CCN(CCc2ccc(Nc3ncc(-c4ccc(OC)cc4)cn3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
OPRM1 P35372 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
HRH1 P35367 1/20 0.42
CDK1 P06493 1/20 0.42
KDR P35968 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
SCHEMBL1735359 0.93 OPRM1 (0.46) CACNA1GHTR1AHTR1DHTR2CHTR7
SCHEMBL13605739 0.93 CACNA1G (0.45) CACNA1GHTR1AHTR1DHTR2CHTR7
SCHEMBL1735198 0.92 AVPR1B (0.48) CACNA1GHTR1AHTR1DHTR2CHTR7
Hydrochloric Acid SCHEMBL1734487 0.92 OPRM1 (0.45) CACNA1GHTR1AHTR1DHTR2CHTR7
SCHEMBL13605487 0.89 DRD3 (0.44) CACNA1GHTR1AHTR1DHTR2CHTR7
SCHEMBL1734200 0.87 OPRM1 (0.44) HTR1ASIGMAR1OPRM1HRH3HDAC3
SCHEMBL1735361 0.87 OPRM1 (0.44) CACNA1GHTR1AHTR1DHTR2CHTR7
SCHEMBL1735366 0.87 GSK3B (0.44) HTR1ASIGMAR1OPRM1HRH3HDAC3
SCHEMBL13605415 0.87 KDM4E (0.50) HRH3LTA4H
SCHEMBL1736529 0.85 OPRM1 (0.44) CACNA1GHTR2BSIGMAR1OPRM1HDAC3

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 45 patents — showing the first 20. 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 claimed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US claimed
US-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 US claimed
US-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US claimed
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 claimed
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 claimed
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 claimed
WO-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 WO claimed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US claimed
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-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 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-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-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-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 WO 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-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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 WO disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 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 (4 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 CACNA1G 868/4885HTR1A 130/4885HTR1D 451/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CACNA1G 868/4885HTR1A 130/4885HTR1D 451/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE CACNA1G 868/4885HTR1A 130/4885HTR1D 451/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CACNA1G 868/4885HTR1A 130/4885HTR1D 451/4885

“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.