SCHEMBL3422148

SCHEMBL3422148

Cc1[nH]c2ccc(F)cc2c1Sc1ccccc1C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 7/20 0.43
HTR1A P08908 5/20 0.43
HTR6 P50406 7/20 0.42
HTR2C P28335 5/20 0.41
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3418616 0.86 HTR2C (0.47) HTR6HTR2CHTR2ASMN1; SMN2
SCHEMBL3422165 0.78 IDO1 (0.56) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3418671 0.78 HTR1A (0.55) SLC6A4HTR1AHTR6HTR2CHTR2A
SCHEMBL9179235 0.76 HTR2A (0.45) SLC6A4HTR6HTR2CHTR2AHTR7
SCHEMBL3538396 0.74 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3420383 0.74 HTR2A (0.46) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL3548204 0.72 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3547741 0.72 HTR2C (0.51) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3544403 0.72 HTR2C (0.51) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3418470 0.72 HTR2C (0.47) SLC6A2SLC6A4SLC6A3HTR1AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678800-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives for use in the treatment of affective disorders, pain, ADHD and stress urinary incontinence H. LUNDBECK A/S (DK) 2010-03-16 US claimed
EP-1771415-B1 2- (1H-INDOLYLSULFANYL) -ARYL AMINE DERIVATIVES FOR USE IN THE TREATMENT OF AFFECTIVE DISORDERS, PAIN, ADHD AND STRESS URINARY INCONTINENCE LUNDBECK & CO AS H (DK) 2009-01-07 EP claimed
JP-2008506640-A 2008-03-06 JP claimed
US-20080027074-A1 2-(1H-Indolysulfanyl)-Aryl Amine Derivatives for Use in the Treatment of Affective Disorders, Pain, Adhd and Stress Urinary Incontinence H. LUNDBECK A/S (DK) 2008-01-31 US claimed
EP-1771415-A1 2- (1H-INDOLYLSULFANYL) -ARYL AMINE DERIVATIVES FOR USE IN THE TREATMENT OF AFFECTIVE DISORDERS, PAIN, ADHD AND STRESS URINARY INCONTINENCE H. Lundbeck A/S (DK) 2007-04-11 EP claimed
WO-2006007843-A1 2-(1H-INDOLYLSULFANYL) -ARYL AMINE DERIVATIVES FOR USE IN THE TREATMENT OF AFFECTIVE DISORDERS, PAIN, ADHD AND STRESS URINARY INCONTINENCE H. LUNDBECK A/S (DK) 2006-01-26 WO claimed
US-7678800-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives for use in the treatment of affective disorders, pain, ADHD and stress urinary incontinence H. LUNDBECK A/S (DK) 2010-03-16 US disclosed
EP-1771415-B1 2- (1H-INDOLYLSULFANYL) -ARYL AMINE DERIVATIVES FOR USE IN THE TREATMENT OF AFFECTIVE DISORDERS, PAIN, ADHD AND STRESS URINARY INCONTINENCE LUNDBECK & CO AS H (DK) 2009-01-07 EP disclosed
US-20080027074-A1 2-(1H-Indolysulfanyl)-Aryl Amine Derivatives for Use in the Treatment of Affective Disorders, Pain, Adhd and Stress Urinary Incontinence H. LUNDBECK A/S (DK) 2008-01-31 US disclosed
EP-1771415-A1 2- (1H-INDOLYLSULFANYL) -ARYL AMINE DERIVATIVES FOR USE IN THE TREATMENT OF AFFECTIVE DISORDERS, PAIN, ADHD AND STRESS URINARY INCONTINENCE H. Lundbeck A/S (DK) 2007-04-11 EP disclosed
WO-2006007843-A1 2-(1H-INDOLYLSULFANYL) -ARYL AMINE DERIVATIVES FOR USE IN THE TREATMENT OF AFFECTIVE DISORDERS, PAIN, ADHD AND STRESS URINARY INCONTINENCE H. LUNDBECK A/S (DK) 2006-01-26 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-20080027074-A1 2-(1H-Indolysulfanyl)-Aryl Amine Derivatives for Use in the Treatment of Affective Disorders, Pain, Adhd and Stress Urinary Incontinence SLC6A2, HTR2C, SLC6A3 SLC6A2 1/4885SLC6A4 8/4885SLC6A3 3/4885

“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.