SCHEMBL4059871

SCHEMBL4059871

CN(CCCc1ccccc1Br)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PDK2 Q15119 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
METAP2 P50579 1/20 0.39
RIPK1 Q13546 1/20 0.39
GBA1 P04062 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
SSTR4 P31391 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
GPR52 Q9Y2T5 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
SCHEMBL4393441 0.96 TAAR1 (0.46) TAAR1CTSSCTSKPDK2MEN1
SCHEMBL2189394 0.92 TAAR1 (0.54) TAAR1CTSSCTSKPDK2MEN1
SCHEMBL4389105 0.83 LMNA (0.40) CTSKPDK2METAP2GBA1L3MBTL1
SCHEMBL27770765 0.83 PDK2 (0.39) PDK2METAP2GBA1L3MBTL1LMNA
SCHEMBL15261600 0.82 HTR2C (0.43) TAAR1CTSSCTSKMEN1NPC1
SCHEMBL24192078 0.82 PYCR1 (0.44) TAAR1CTSSCTSKPDK2RIPK1
SCHEMBL20139826 0.82 TAAR1 (0.40) TAAR1CTSSCTSKMEN1NPC1
SCHEMBL31439932 0.80 PDK2 (0.38) CTSSCTSKPDK2MEN1NPC1
SCHEMBL16268774 0.80 RIPK1 (0.45) TAAR1CTSSCTSKPDK2MEN1
SCHEMBL2191105 0.79 TAAR1 (0.44) TAAR1CTSSCTSKMEN1NPC1

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 8 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
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives H. LUNDBECK A/S (DK) 2009-07-30 US disclosed
US-7534791-B2 Benzo[b]furane and benzo[b]thiophene derivatives H. LUNDBECK A/S (DK) 2009-05-19 US disclosed
EP-1893596-A2 BENZOÝB¨FURANE AND BENZOÝB¨THIOPHENE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2007023395-A2 BENZO[B]FURANE AND BENZO[B]THIOPHENE DERIVATIVES H. LUNDBECK A/S (US) 2007-03-01 WO disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 US disclosed
US-20060287386-A1 Benzo[b]furane and benzo[b]thiophene 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 (3 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-20060287386-A1 Benzo[b]furane and benzo[b]thiophene derivatives CYP1B1, TBCB, CYP4B1 TAAR1 1517/4885CTSS 4061/4885CTSK 3530/4885
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 TAAR1 341/4885CTSS 3128/4885CTSK 3644/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 TAAR1 1517/4885CTSS 4061/4885CTSK 3530/4885

“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.