SCHEMBL3421822

SCHEMBL3421822

Fc1cccc2[nH]cc(Sc3ccccc3C3CCNCC3)c12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
ADRB2 P07550 1/20 0.47
SLC6A4 P31645 11/20 0.44
HTR1A P08908 10/20 0.44
SLC6A2 P23975 10/20 0.44
SLC6A3 Q01959 6/20 0.44
HTR6 P50406 2/20 0.40
HTR2A P28223 2/20 0.39

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
SCHEMBL3419684 0.86 HTR2C (0.52) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL3418902 0.85 HTR2C (0.47) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL3418785 0.81 HTR2C (0.64) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL3418989 0.81 SLC6A4 (0.44) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL5387687 0.80 SLC6A4 (0.59) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL3420383 0.77 HTR2A (0.46) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL3422165 0.77 IDO1 (0.56) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL3418567 0.76 HTR2C (0.49) HTR2CADRB2SLC6A4HTR1ASLC6A2
SCHEMBL3420354 0.76 HTR1A (0.53) HTR2CADRB2SLC6A4HTR1AHTR6
SCHEMBL3538396 0.73 SLC6A2 (0.50) HTR2CSLC6A4HTR1ASLC6A2SLC6A3

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 HTR2C 2/4885ADRB2 34/4885SLC6A4 8/4885

“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.