SCHEMBL2039772

SCHEMBL2039772

COC(=O)c1cn(CCOC(F)(F)F)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
TSHR P16473 1/20 0.68
NR4A2 P43354 2/20 0.67
LMNA P02545 4/20 0.66
MAPT P10636 2/20 0.66
POLB P06746 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.65
GAA P10253 1/20 0.61
CNR1 P21554 2/20 0.57
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 2/20 0.53
BRD4 O60885 1/20 0.52
CNR2 P34972 2/20 0.52
MEN1 O00255 1/20 0.51
PTPN7 P35236 1/20 0.51
NR2F2 P24468 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL2039146 0.86 ALDH1A1 (0.60) L3MBTL1TSHRLMNAMAPTPOLB
SCHEMBL31429438 0.83 NR4A2 (0.76) L3MBTL1TSHRNR4A2LMNAMAPT
SCHEMBL2039380 0.82 LMNA (0.54) L3MBTL1TSHRNR4A2LMNAMAPT
SCHEMBL2036426 0.82 LMNA (0.54) L3MBTL1TSHRNR4A2LMNAMAPT
SCHEMBL2038601 0.82 NR4A2 (0.47) L3MBTL1TSHRNR4A2LMNAMAPT
SCHEMBL6984456 0.81 NR4A2 (0.78) L3MBTL1TSHRNR4A2LMNAMAPT
SCHEMBL1855462 0.81 NR4A2 (1.00) L3MBTL1TSHRNR4A2LMNAMAPT
SCHEMBL2036700 0.81 PRPS1 (0.53) L3MBTL1TSHRNR4A2LMNAMAPT
Fluoride SCHEMBL28025004 0.80 NR4A2 (0.76) L3MBTL1TSHRNR4A2LMNAMAPT
SCHEMBL2042864 0.80 NR4A2 (0.71) L3MBTL1TSHRNR4A2LMNAMAPT

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-102770425-A Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors SANOFI SA 2012-11-07 CN disclosed
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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 (1 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 L3MBTL1 4194/4885TSHR 1421/4885NR4A2 3953/4885

“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.