SCHEMBL1399191

SCHEMBL1399191

NCCc1cc(Cl)ccc1Sc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
MPO P05164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
CTSK P43235 1/20 0.52
HTR6 P50406 1/20 0.52
CYP2A13 Q16696 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
PMP22 Q01453 1/20 0.51
IDO1 P14902 6/20 0.49
GFER P55789 1/20 0.49
RHEB Q15382 2/20 0.47

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
SCHEMBL1399442 0.90 HTR2A (0.55) HTR2ATRPM8MPOCYP1A2CYP3A4
SCHEMBL3190980 0.85 HTR2A (0.51) HTR2ATRPM8MPOCYP1A2CYP3A4
SCHEMBL1399216 0.85 IDO1 (0.62) HTR2ATRPM8MPOCYP1A2CYP3A4
SCHEMBL1399403 0.85 HTR2A (0.55) HTR2ATRPM8MPOCYP1A2CYP3A4
SCHEMBL1399231 0.85 HTR2C (0.55) HTR2AMPOCYP1A2CYP3A4CYP2D6
SCHEMBL1399308 0.84 HTR2A (0.58) HTR2ATRPM8CYP1A2NFKB1HTR1D
SCHEMBL1399286 0.84 MPO (0.58) HTR2ATRPM8MPOIDO1TUBB4A
SCHEMBL4391401 0.84 HTR2A (0.56) HTR2AMPOCYP2D6HTR2CHTR6
SCHEMBL4634057 0.84 HTR2A (0.58) HTR2ATRPM8MPOHTR2CIDO1
SCHEMBL1399365 0.84 HTR2A (0.61) HTR2ATRPM8MPOCYP1A2CYP3A4

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 16 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
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-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
US-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2006-07-20 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 (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 8/4885TRPM8 4087/4885MPO 2722/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B HTR2A 8/4885TRPM8 3588/4885MPO 3142/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B HTR2A 8/4885TRPM8 3588/4885MPO 3142/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B HTR2A 6/4885TRPM8 3933/4885MPO 2745/4885

“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.