SCHEMBL2035148

SCHEMBL2035148

CC(C)(O)CCn1cc(C(=O)O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.56
CREBBP Q92793 1/20 0.55
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PLK1 P53350 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
CNR2 P34972 5/20 0.48
CNR1 P21554 3/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL15882924 0.87 ALDH1A1 (0.57) ALDH1A1MAPTCREBBPKDM4EL3MBTL1
SCHEMBL5065671 0.82 CNR2 (0.68) ALDH1A1MAPTCREBBPPLK1CNR2
SCHEMBL5066705 0.82 ALDH1A1 (0.58) ALDH1A1MAPTCREBBPKDM4EL3MBTL1
SCHEMBL12168491 0.80 CNR2 (0.65) ALDH1A1MAPTCREBBPKMT2AMEN1
SCHEMBL30384771 0.80 CNR2 (0.65) ALDH1A1MAPTCREBBPKMT2AMEN1
SCHEMBL7347589 0.79 CNR2 (0.69) ALDH1A1KDM4ECNR2CNR1
SCHEMBL30373303 0.79 NR4A2 (0.69) ALDH1A1MAPTCREBBPKDM4EL3MBTL1
SCHEMBL2429622 0.79 NR4A2 (0.69) ALDH1A1MAPTCREBBPKDM4EL3MBTL1
SCHEMBL11903673 0.78 CNR2 (0.74) CNR2CNR1
SCHEMBL6042188 0.78 CNR2 (0.70) ALDH1A1MAPTCREBBPL3MBTL1KMT2A

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 6 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

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 ALDH1A1 752/4885MAPT 2406/4885CREBBP 2114/4885

“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.