SCHEMBL736864

SCHEMBL736864

CNCc1ccccc1Sc1c[nH]c2cc(F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
IFNAR1 P17181 1/20 0.49
GPR84 Q9NQS5 3/20 0.48
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
MPO P05164 2/20 0.42
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1399382 0.90 IDO1 (0.62) IDO1IFNAR1GPR84SLC6A2SLC6A4
SCHEMBL3185727 0.90 GPR84 (0.50) IDO1GPR84SLC6A4MPOHTR2A
Cadaverine Tartrate SCHEMBL736824 0.89 RECQL (0.43) IDO1IFNAR1GPR84SLC6A2SLC6A4
SCHEMBL4391470 0.88 MPO (0.54) IDO1GPR84SLC6A4MPOHTR2A
SCHEMBL4392323 0.87 MPO (0.57) IDO1GPR84SLC6A4MPOHTR2A
SCHEMBL3192924 0.86 IFNAR1 (0.50) IDO1IFNAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3185285 0.86 IFNAR1 (0.50) IDO1IFNAR1GPR84SLC6A2SLC6A4
SCHEMBL757235 0.86 IDO1 (0.52) IDO1GPR84SLC6A2SLC6A4HTR2A
SCHEMBL3182675 0.85 GPR84 (0.46) IDO1GPR84SLC6A2SLC6A4SLC6A3
SCHEMBL4632786 0.85 IDO1 (0.51) IDO1IFNAR1GPR84SLC6A2SLC6A4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074091-B1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS LUNDBECK & CO AS H (DK) 2015-01-07 EP claimed
US-20090054510-A1 METHOD FOR IDENTIFYING COMPOUNDS FOR THE TREATMENT OF DEPRESSION H. LUNDBECK A/S (DK) 2009-02-26 US claimed
EP-1996948-A1 METHOD FOR IDENTIFYING COMPOUNDS FOR THE TREATMENT OF DEPRESSION H.Lundbeck A/S (DK) 2008-12-03 EP claimed
EP-1701940-B1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI LUNDBECK & CO AS H (DK) 2008-05-28 EP claimed
WO-2007107165-A1 METHOD FOR IDENTIFYING COMPOUNDS FOR THE TREATMENT OF DEPRESSION H. LUNDBECK A/S (DK) 2007-09-27 WO claimed
EP-2074091-B1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS LUNDBECK & CO AS H (DK) 2015-01-07 EP disclosed
EP-2074091-B1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS LUNDBECK & CO AS H (DK) 2015-01-07 EP disclosed
EP-2074091-B1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS LUNDBECK & CO AS H (DK) 2015-01-07 EP disclosed
US-8138220-B2 [2-(6-fluoro-1H-indol-3-ylsulfanyl)benzyl]methyl amine for the treatment of affective disorders H. LUNDBECK A/S (DK) 2012-03-20 US disclosed
US-8138220-B2 [2-(6-fluoro-1H-indol-3-ylsulfanyl)benzyl]methyl amine for the treatment of affective disorders H. LUNDBECK A/S (DK) 2012-03-20 US disclosed
US-8138220-B2 [2-(6-fluoro-1H-indol-3-ylsulfanyl)benzyl]methyl amine for the treatment of affective disorders H. LUNDBECK A/S (DK) 2012-03-20 US disclosed
US-20100286226-A1 COMBINATION THERAPY RELATED TO SEROTONIN DUAL ACTION COMPOUNDS H. LUNDBECK A/S (DK) 2010-11-11 US disclosed
WO-2009112541-A2 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2009-09-17 WO disclosed
EP-2074091-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. Lundbeck A/S (DK) 2009-07-01 EP disclosed
EP-2074091-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. Lundbeck A/S (DK) 2009-07-01 EP disclosed
US-20090054510-A1 METHOD FOR IDENTIFYING COMPOUNDS FOR THE TREATMENT OF DEPRESSION H. LUNDBECK A/S (DK) 2009-02-26 US disclosed
EP-1996948-A1 METHOD FOR IDENTIFYING COMPOUNDS FOR THE TREATMENT OF DEPRESSION H.Lundbeck A/S (DK) 2008-12-03 EP disclosed
WO-2008037258-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2008-04-03 WO disclosed
WO-2008037258-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2008-04-03 WO disclosed
WO-2007107165-A1 METHOD FOR IDENTIFYING COMPOUNDS FOR THE TREATMENT OF DEPRESSION H. LUNDBECK A/S (DK) 2007-09-27 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-20100286226-A1 COMBINATION THERAPY RELATED TO SEROTONIN DUAL ACTION COMPOUNDS SLC6A4, HTR2A, HTR1A IDO1 126/4885IFNAR1 1931/4885GPR84 335/4885

“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.