SCHEMBL13605487

SCHEMBL13605487

COc1ccc(-c2cnc(Nc3ccc(CCN4CCC(C(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.44
▸ SLC6A11 P48066 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SLC6A12 P48065 1/20 0.43
▸ SLC6A13 Q9NSD5 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ SLC6A1 P30531 2/20 0.42
▸ S1PR5 Q9H228 2/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HDAC3 O15379 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
SCHEMBL1735308 0.95 DRD3 (0.51) DRD3SLC6A11MEN1TP53CYP1A2
SCHEMBL1735305 0.95 DRD3 (0.51) DRD3SLC6A11MEN1TP53CYP1A2
SCHEMBL1735359 0.94 OPRM1 (0.46) LTA4HOPRM1CACNA1GHTR1AHTR1D
Hydrochloric Acid SCHEMBL1734487 0.94 OPRM1 (0.45) LTA4HOPRM1CACNA1GHTR1AHTR1D
SCHEMBL1735223 0.91 S1PR5 (0.52) S1PR5
SCHEMBL1734153 0.89 CACNA1G (0.45) LTA4HOPRM1CACNA1GHTR1AHTR1D
SCHEMBL13605739 0.89 CACNA1G (0.45) OPRM1CACNA1GHTR1AHTR1DHTR2C
SCHEMBL1735198 0.88 AVPR1B (0.48) LTA4HOPRM1CACNA1GHTR1AHTR1D
SCHEMBL1734298 0.87 DRD3 (0.48) DRD3KMT2ALTA4H
SCHEMBL13605444 0.86 LTA4H (0.50) LTA4HHDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (6 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 DRD3 3468/4885SLC6A11 3783/4885MEN1 2421/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD3 3468/4885SLC6A11 3783/4885MEN1 2421/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD3 3468/4885SLC6A11 3783/4885MEN1 2421/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE DRD3 3468/4885SLC6A11 3783/4885MEN1 2421/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD3 3468/4885SLC6A11 3783/4885MEN1 2421/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD3 3468/4885SLC6A11 3783/4885MEN1 2421/4885

“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.

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