SCHEMBL2040004

SCHEMBL2040004

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR1A P08908 2/20 0.39
IGF1R P08069 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ESR1 P03372 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
PTGDR Q13258 1/20 0.35
NAMPT P43490 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL2040522 0.89 PTGDR2 (0.47) SLC6A2SLC6A4SLC6A3HTR1AIGF1R
SCHEMBL2038391 0.89 MEN1 (0.45) SLC6A2SLC6A4SLC6A3HTR1AIGF1R
SCHEMBL27893598 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1AIGF1R
SCHEMBL970934 0.80 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3HTR1AIGF1R
Hydrochloric Acid SCHEMBL16564426 0.79 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3HTR1AIGF1R
Acetic Acid SCHEMBL974712 0.77 ALDH1A1 (0.40) IGF1RL3MBTL1ALDH1A1SMN1; SMN2BRD4
SCHEMBL2038472 0.74 GRM2 (0.42) L3MBTL1ALDH1A1SMN1; SMN2MEN1MAPK1
SCHEMBL7677537 0.73 HTR1A (0.56) SLC6A2SLC6A4SLC6A3HTR1APTGDR2
SCHEMBL301842 0.73 BRD4 (0.47) L3MBTL1ALDH1A1SMN1; SMN2BRD4CREBBP
Hydrochloric Acid SCHEMBL7677076 0.73 HTR2C (0.56) SLC6A2SLC6A4SLC6A3HTR1APTGDR2

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 SLC6A2 222/4885SLC6A4 74/4885SLC6A3 413/4885

“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.