SCHEMBL3416625

SCHEMBL3416625

c1ccc(N2CCNCC2)c(Sc2c[nH]c3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.59
HTR3A P46098 17/20 0.59
CYP1A2 P05177 11/20 0.56
CYP3A4 P08684 11/20 0.56
CYP2D6 P10635 11/20 0.56
CYP2C9 P11712 11/20 0.56
ADRB1 P08588 3/20 0.53
HTR6 P50406 3/20 0.53
ADRB2 P07550 2/20 0.53
HRH2 P25021 2/20 0.53
HTR1B P28222 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
SLC6A4 P31645 2/20 0.53
HTR7 P34969 2/20 0.53
HRH1 P35367 2/20 0.53
HTR5A P47898 2/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
GFER P55789 1/20 0.52

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
SCHEMBL3421826 0.85 HTR1A (0.65) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3421737 0.85 HTR1A (0.62) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3418908 0.85 HTR1A (0.66) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3418895 0.85 HTR1A (0.58) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3421784 0.85 HTR1A (0.58) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3418575 0.85 HTR1A (0.65) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3418344 0.85 HTR1A (0.66) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3421745 0.82 HTR1A (0.65) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3416172 0.82 HTR1A (0.65) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL1442314 0.82 HTR6 (0.63) HTR1AHTR3ACYP1A2CYP2D6ADRB1

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 8 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
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
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 HTR1A 22/4885HTR3A 9/4885CYP1A2 212/4885

“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.