SCHEMBL1399250

SCHEMBL1399250

NCCc1ccccc1Sc1c[nH]c2cccc(F)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.62
FFAR1 O14842 1/20 0.48
GPR84 Q9NQS5 1/20 0.48
HTR2C P28335 3/20 0.47
SLC6A2 P23975 1/20 0.45
TAAR1 Q96RJ0 3/20 0.44
MPO P05164 3/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR7 P34969 1/20 0.44
CTSK P43235 1/20 0.44
HTR6 P50406 1/20 0.44
CYP2A13 Q16696 1/20 0.44
HTR2B P41595 1/20 0.44
PMP22 Q01453 1/20 0.43

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
SCHEMBL1399427 0.87 HTR2A (0.59) HTR2AFFAR1GPR84HTR2CSLC6A2
SCHEMBL4393994 0.86 TAAR1 (0.50) HTR2AFFAR1GPR84HTR2CSLC6A2
SCHEMBL1399376 0.85 HTR2A (0.47) HTR2AFFAR1GPR84HTR2CSLC6A2
SCHEMBL1399316 0.85 IDO1 (0.47) HTR2AGPR84HTR2CSLC6A2TAAR1
SCHEMBL1399370 0.85 HTR2A (0.47) HTR2AHTR2CSLC6A2TAAR1MPO
SCHEMBL1399149 0.85 HTR2C (0.63) HTR2AHTR2CSLC6A2TAAR1MPO
SCHEMBL1399423 0.85 HTR2A (0.57) HTR2AFFAR1GPR84HTR2CSLC6A2
SCHEMBL4633056 0.84 HTR2A (0.45) HTR2AHTR2CSLC6A2TAAR1MPO
SCHEMBL1399283 0.84 HTR2A (0.56) HTR2AFFAR1GPR84HTR2CSLC6A2
SCHEMBL1399466 0.83 IFNAR1 (0.51) HTR2AFFAR1GPR84HTR2CSLC6A2

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 19 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-7737171-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US claimed
US-7652150-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIs H. LUNDBECK A/S (DK) 2010-01-26 US claimed
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI H. LUNDBECK A/S (DK) 2008-09-04 US claimed
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-07-24 US 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
EP-1860100-B1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI LUNDBECK & CO AS H (DK) 2011-03-02 EP 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-7737171-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 HTR2A 8/4885FFAR1 1012/4885GPR84 1433/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B HTR2A 8/4885FFAR1 2479/4885GPR84 2640/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B HTR2A 8/4885FFAR1 2479/4885GPR84 2640/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B HTR2A 6/4885FFAR1 1817/4885GPR84 1644/4885

“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.