SCHEMBL3422221

SCHEMBL3422221

Fc1cccc2c(Sc3ccccc3N3CCNCC3)c[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.53
HTR3A P46098 19/20 0.53
CYP1A2 P05177 9/20 0.53
CYP3A4 P08684 9/20 0.53
CYP2D6 P10635 9/20 0.53
CYP2C9 P11712 9/20 0.53
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
HRH2 P25021 2/20 0.48
HTR1B P28222 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
SLC6A4 P31645 2/20 0.48
HTR7 P34969 2/20 0.48
HRH1 P35367 2/20 0.48
HTR5A P47898 2/20 0.48
HTR6 P50406 2/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL3421293 0.85 HTR1A (0.65) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3418505 0.85 HTR1A (0.67) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3419765 0.85 HTR1A (0.57) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3422135 0.82 HTR3A (0.68) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3419928 0.82 HTR1A (0.53) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3418631 0.81 HTR1A (0.52) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3416625 0.81 HTR1A (0.59) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3420354 0.81 HTR1A (0.53) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL5203234 0.79 HTR1A (0.63) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3416432 0.78 HTR1A (0.51) HTR1AHTR3ACYP1A2CYP3A4CYP2D6

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 6 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

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.