SCHEMBL735716

SCHEMBL735716

NCCc1ccccc1Sc1c[nH]c2cc(F)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.62
MPO P05164 9/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
HTR1A P08908 2/20 0.50
KMT2A Q03164 1/20 0.50
IDO1 P14902 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
GFER P55789 1/20 0.43
SLC6A4 P31645 3/20 0.42
HTR2C P28335 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR7 P34969 1/20 0.42
CTSK P43235 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL1399332 0.90 MPO (0.62) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL4632232 0.90 HTR2A (0.65) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL3190247 0.90 HTR2A (0.50) HTR2AMPOTRPM8HTR1AKMT2A
Cadaverine Tartrate SCHEMBL736178 0.89 HTR2A (0.50) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL4632768 0.87 HTR2A (0.47) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL3190980 0.85 HTR2A (0.51) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL3175043 0.85 HTR2A (0.51) HTR2AMPOTRPM8HTR1AKMT2A
SCHEMBL736880 0.84 IDO1 (0.49) HTR2AHTR1AIDO1GPR84GFER
SCHEMBL757235 0.84 IDO1 (0.52) HTR2AHTR1AIDO1GPR84GFER
SCHEMBL736507 0.84 IDO1 (0.49) HTR2AHTR1AIDO1GPR84GFER

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 52 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-7737170-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US claimed
US-20090326036-A1 [2-(6-FLUORO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2009-12-31 US claimed
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 claimed
US-7563908-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2009-07-21 US claimed
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 claimed
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-09-04 US claimed
EP-1701940-B1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI LUNDBECK & CO AS H (DK) 2008-05-28 EP claimed
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 claimed
EP-1860100-A2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. Lundbeck A/S (DK) 2007-11-28 EP claimed
US-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2006-07-20 US claimed
US-20230068400-A1 TAFA4 POLYPEPTIDE OR POLYNUCLEOTIDE FOR TREATING INFLAMMATORY DISEASE UNIVERSITE D'AIX MARSEILLE (FR) 2023-03-02 US disclosed
US-10767226-B2 Honeycomb tube CEPHEID (US) 2020-09-08 US 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
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
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 (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-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI TPH1, TPH2, HTR2B HTR2A 8/4885MPO 2722/4885TRPM8 4087/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B HTR2A 8/4885MPO 3142/4885TRPM8 3588/4885
US-20090326036-A1 [2-(6-FLUORO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS HTR2C, HTR3B, HTR3C HTR2A 4/4885MPO 3918/4885TRPM8 2487/4885

“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.