SCHEMBL4393441

SCHEMBL4393441

CN(CCCCc1ccccc1Br)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PDK2 Q15119 1/20 0.39
METAP2 P50579 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.38
GBA1 P04062 1/20 0.38
GLS O94925 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
BCHE P06276 1/20 0.36
CHRM2 P08172 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
SCHEMBL4059871 0.96 TAAR1 (0.47) TAAR1L3MBTL1LMNACTSSCTSK
SCHEMBL2189394 0.90 TAAR1 (0.54) TAAR1L3MBTL1CTSSCTSKPDK2
SCHEMBL27730950 0.81 TAAR1 (0.53) TAAR1BCHEACHE
SCHEMBL15261600 0.81 HTR2C (0.43) TAAR1LMNACTSSCTSKMEN1
SCHEMBL24192078 0.81 PYCR1 (0.44) TAAR1LMNACTSSCTSKPDK2
SCHEMBL4389105 0.80 LMNA (0.40) L3MBTL1LMNACTSKPDK2METAP2
SCHEMBL27770765 0.80 PDK2 (0.39) L3MBTL1LMNAPDK2METAP2GBA1
SCHEMBL16268774 0.79 RIPK1 (0.45) TAAR1CTSSCTSKPDK2METAP2
SCHEMBL31439932 0.79 PDK2 (0.38) L3MBTL1LMNACTSSCTSKPDK2
SCHEMBL20139826 0.78 TAAR1 (0.40) TAAR1L3MBTL1CTSSCTSKMEN1

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-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 WO disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 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 (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-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 TAAR1 341/4885L3MBTL1 4418/4885LMNA 2936/4885

“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.