SCHEMBL3419684

SCHEMBL3419684

Cc1cccc2[nH]cc(Sc3ccccc3C3CCNCC3)c12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.52
ADRB2 P07550 1/20 0.48
HTR1A P08908 5/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
HTR6 P50406 2/20 0.40
HTR2A P28223 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
HTR3A P46098 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL3421822 0.86 HTR2C (0.47) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL3418902 0.86 HTR2C (0.47) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL2469257 0.82 HTR2C (0.67) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL3418785 0.82 HTR2C (0.64) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL3418567 0.82 HTR2C (0.49) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL3421798 0.81 HTR2C (0.51) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL3546809 0.81 HTR2C (0.67) HTR2CHTR1ASLC6A2SLC6A4HTR6
SCHEMBL27453460 0.78 HTR2C (0.57) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL3418903 0.78 HTR2C (0.49) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL3416202 0.78 HTR2C (0.46) HTR2CADRB2HTR1ASLC6A2SLC6A4

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 34/4885HTR1A 22/4885

“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.