SCHEMBL3434116

SCHEMBL3434116

[CH2]C(CCC)Sn1ccc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.43
▸ CDK4 P11802 4/20 0.37
▸ CCND1 P24385 4/20 0.37
▸ SLC6A4 P31645 4/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL3432890 0.79 SLC6A2 (0.41) SLC6A2CDK4CCND1SLC6A4DRD2
SCHEMBL28246061 0.69 CDK4 (0.42) SLC6A2CDK4CCND1SLC6A4DRD2
SCHEMBL29412428 0.68 SLC6A2 (0.59) SLC6A2CDK4CCND1SLC6A4
SCHEMBL704340 0.68 SLC6A2 (0.59) SLC6A2CDK4CCND1SLC6A4
SCHEMBL30416543 0.68 NOTUM (0.48) CDK4CCND1HTR2AHTR2CNOTUM
SCHEMBL17288078 0.68 NOTUM (0.48) CDK4CCND1HTR2AHTR2CNOTUM
SCHEMBL2556278 0.68 CDK4 (0.41) SLC6A2CDK4CCND1SLC6A4DRD2
SCHEMBL4782553 0.68 CDK4 (0.35) SLC6A2CDK4CCND1SLC6A4NOTUM
SCHEMBL20037238 0.67 SLC6A2 (0.57) SLC6A2CDK4CCND1SLC6A4HTR2A
SCHEMBL31280260 0.66 SLC6A2 (0.56) SLC6A2CDK4CCND1SLC6A4

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 5 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 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
EP-1771415-A1 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) 2007-04-11 — — EP disclosed
WO-2006007843-A1 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) 2006-01-26 — — WO 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 SLC6A2 1/4885CDK4 3462/4885CCND1 3721/4885

“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.

Send feedback