SCHEMBL3421745

SCHEMBL3421745

COc1ccc2[nH]cc(Sc3ccccc3N3CCNCC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.65
HTR3A P46098 17/20 0.65
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 4/20 0.50

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
SCHEMBL3416172 0.91 HTR1A (0.65) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3421742 0.87 HTR3A (0.65) HTR1AHTR3ATUBB4ATUBBTUBA3C
SCHEMBL21256026 0.86 HTR3A (0.58) HTR1AHTR3ACYP1A2CYP3A4ADRB1
SCHEMBL3418908 0.85 HTR1A (0.66) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3418575 0.83 HTR1A (0.65) HTR1AHTR3ATUBB4ATUBBTUBA3C
SCHEMBL3421784 0.83 HTR1A (0.58) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3416625 0.82 HTR1A (0.59) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3417187 0.78 TUBB4A (0.50) HTR1AHTR3ATUBB4ATUBBTUBA3C
SCHEMBL3418344 0.78 HTR1A (0.66) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3416726 0.78 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 9/4885TUBB4A 2065/4885

“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.