SCHEMBL3418178

SCHEMBL3418178

COc1cccc2[nH]cc(Sc3ccccc3N3CCNCC3)c12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 16/20 0.68
HTR1A P08908 15/20 0.68
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ADRB1 P08588 1/20 0.54
DRD2 P14416 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD3 P35462 1/20 0.54
HTR6 P50406 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 3/20 0.53
HTR7 P34969 2/20 0.51

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
SCHEMBL3416741 0.87 HTR1A (0.60) HTR3AHTR1AADRB1HTR6CYP1A2
SCHEMBL3418582 0.87 HTR3A (0.62) HTR3AHTR1AHTR3EHTR3BADRB1
SCHEMBL3419898 0.86 HTR1A (0.69) HTR3AHTR1AADRB1HTR6CYP1A2
SCHEMBL3420354 0.82 HTR1A (0.53) HTR3AHTR1AADRB1HTR6CYP1A2
SCHEMBL3421420 0.82 HTR1A (0.65) HTR3AHTR1AADRB1DRD2DRD3
SCHEMBL3422135 0.82 HTR3A (0.68) HTR3AHTR1AHTR3EHTR3BADRB1
SCHEMBL3416625 0.78 HTR1A (0.59) HTR3AHTR1AADRB1HTR6CYP1A2
SCHEMBL3416172 0.76 HTR1A (0.65) HTR3AHTR1AADRB1HTR6CYP1A2
SCHEMBL3421745 0.76 HTR1A (0.65) HTR3AHTR1AADRB1HTR6CYP1A2
SCHEMBL3419239 0.75 HTR1A (0.62) HTR3AHTR1AADRB1HTR6CYP1A2

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 HTR3A 9/4885HTR1A 22/4885HTR3E 36/4885

“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.