SCHEMBL2040522

SCHEMBL2040522

COC(=O)COc1ccc(CNC(=O)OC(C)(C)C)cc1C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.47
PTGDR Q13258 1/20 0.47
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
HTR1A P08908 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IGF1R P08069 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2038391 0.90 MEN1 (0.45) SLC6A2SLC6A4SLC6A3HTR1AALDH1A1
SCHEMBL2040004 0.89 SLC6A2 (0.39) PTGDR2PTGDRSLC6A2SLC6A4SLC6A3
SCHEMBL27893598 0.85 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1AALDH1A1
SCHEMBL970934 0.81 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3HTR1AALDH1A1
Hydrochloric Acid SCHEMBL16564426 0.81 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3HTR1AALDH1A1
Acetic Acid SCHEMBL974712 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2IGF1RL3MBTL1BRD4
SCHEMBL2037435 0.78 CYP1A2 (0.43) ALDH1A1SMN1; SMN2IGF1RL3MBTL1MAPT
SCHEMBL301842 0.75 BRD4 (0.47) ALDH1A1SMN1; SMN2L3MBTL1ROCK2BRD4
Hydrochloric Acid SCHEMBL2034724 0.74 BRD4 (0.46) ALDH1A1SMN1; SMN2L3MBTL1ROCK2BRD4
SCHEMBL24619900 0.73 IGF1R (0.48) IGF1RL3MBTL1BRD4CREBBPNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGDR2 1406/4885PTGDR 1200/4885SLC6A2 222/4885

“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.