SCHEMBL3418989

SCHEMBL3418989

Fc1cccc2c(Sc3ccccc3C3CCNCC3)c[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.44
HTR1A P08908 10/20 0.44
SLC6A2 P23975 10/20 0.44
SLC6A3 Q01959 7/20 0.44
HTR2C P28335 5/20 0.44
ADRB2 P07550 1/20 0.44
HTR6 P50406 2/20 0.40
GPR84 Q9NQS5 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
SCHEMBL3421798 0.85 HTR2C (0.51) SLC6A4HTR1ASLC6A2HTR2CADRB2
SCHEMBL3419770 0.85 HTR2C (0.44) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL3418826 0.82 HTR2C (0.41) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL3422175 0.82 HTR2C (0.54) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL6812169 0.81 HTR2C (0.59) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL3418785 0.81 HTR2C (0.64) SLC6A4HTR1ASLC6A2HTR2CADRB2
SCHEMBL3421822 0.81 HTR2C (0.47) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL3422165 0.77 IDO1 (0.56) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL3420383 0.77 HTR2A (0.46) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL3422221 0.76 HTR1A (0.53) SLC6A4HTR1AHTR2CADRB2HTR6

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 SLC6A4 8/4885HTR1A 22/4885SLC6A2 1/4885

“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.