SCHEMBL1399359

SCHEMBL1399359

COc1cccc2[nH]cc(Sc3ccccc3CN(C)C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
SLC6A3 Q01959 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPY1R P25929 1/20 0.47
MAPK1 P28482 1/20 0.47
NPY2R P49146 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
IDO1 P14902 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44

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
SCHEMBL1399352 0.85 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3LMNAALDH1A1
SCHEMBL1399273 0.84 KMT2A (0.49) HTR6HTR2AIDO1TUBB4ATUBB
SCHEMBL1399346 0.83 HTR2A (0.66) HTR6SLC6A2HTR2AHTR2CHTR2B
SCHEMBL1399202 0.82 HTR2A (0.51) SLC6A2SLC6A4SLC6A3LMNAALDH1A1
SCHEMBL1399363 0.82 HTR2A (0.64) HTR6SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL1399391 0.82 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3LMNAALDH1A1
SCHEMBL1399180 0.81 LMNA (0.53) HTR6SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL13390751 0.80 HTR6 (0.74) HTR6ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL29445150 0.80 HTR6 (0.74) HTR6ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL4389932 0.80 HTR2A (0.46) HTR6ALDH1A1HTR2AIDO1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1860100-B1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI LUNDBECK & CO AS H (DK) 2011-03-02 EP claimed
US-7737170-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US claimed
US-7563908-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2009-07-21 US claimed
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-09-04 US claimed
US-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2006-07-20 US claimed
EP-1860100-B1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI LUNDBECK & CO AS H (DK) 2011-03-02 EP disclosed
US-7737171-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US disclosed
US-7737170-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US disclosed
US-7652150-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIs H. LUNDBECK A/S (DK) 2010-01-26 US disclosed
US-7563908-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2009-07-21 US disclosed
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI H. LUNDBECK A/S (DK) 2008-09-04 US disclosed
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-09-04 US disclosed
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-07-24 US disclosed
EP-1860100-A2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. Lundbeck A/S (DK) 2007-11-28 EP disclosed
EP-1701940-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI H.Lundbeck A/S (DK) 2006-09-20 EP disclosed
US-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2006-07-20 US disclosed
WO-2005061455-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI H. LUNDBECK A/S (DK) 2005-07-07 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 (4 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-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI TPH1, TPH2, HTR2B HTR6 19/4885SLC6A2 11/4885SLC6A4 10/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B HTR6 18/4885SLC6A2 11/4885SLC6A4 12/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B HTR6 18/4885SLC6A2 11/4885SLC6A4 12/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B HTR6 13/4885SLC6A2 11/4885SLC6A4 10/4885

“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.