SCHEMBL13713488

SCHEMBL13713488

CCC(C)(C)C(=O)NCCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 3/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ALOX15 P16050 1/20 0.51
RIPK1 Q13546 1/20 0.51
RAB9A P51151 1/20 0.51
CNR1 P21554 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL13713514 0.88 L3MBTL1 (0.53) L3MBTL1HTTMEN1KMT2AHRH3
SCHEMBL12156703 0.86 HRH3 (0.57) L3MBTL1HTTMEN1KMT2AHRH3
SCHEMBL24306041 0.82 RAB9A (0.54) L3MBTL1HTTMEN1KMT2AHRH3
SCHEMBL13915565 0.81 RAB9A (0.53) L3MBTL1HTTMEN1KMT2AHRH3
SCHEMBL1256540 0.81 TAS1R3 (0.56) L3MBTL1HTTMEN1KMT2AHRH3
SCHEMBL14168964 0.81 RAB9A (0.46) L3MBTL1HTTMEN1KMT2AHRH3
SCHEMBL3716649 0.80 L3MBTL1 (0.64) L3MBTL1HTTMEN1KMT2AHRH3
SCHEMBL2093615 0.80 SMN1; SMN2 (0.59) HTTMEN1KMT2AHRH3LMNA
SCHEMBL48652 0.80 HRH3 (0.61) HTTMEN1KMT2AHRH3LMNA
SCHEMBL27714281 0.79 MEN1 (0.59) L3MBTL1HTTMEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778822-B Amide addition reaction GIVAUDAN SA 2014-06-11 CN disclosed
CN-101257949-B Cooling compounds GIVAUDAN SA 2011-01-19 CN disclosed
CN-101778822-A Amide addition reaction GIVAUDAN SA 2010-07-14 CN 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
CN-101257949-A Cooling compounds GIVAUDAN SA (CH) 2008-09-03 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE L3MBTL1 4630/4885HTT 3827/4885MEN1 2421/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE L3MBTL1 4630/4885HTT 3827/4885MEN1 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.