SCHEMBL3418896

SCHEMBL3418896

CC(C)(C)OC(=O)N1CCC(c2ccccc2OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.43
STS P08842 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NAMPT P43490 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3552370 0.89 DRD2 (0.53) GPR119STSALDH1A1LMNANAMPT
SCHEMBL3543628 0.85 GPR119 (0.42) GPR119STSMEN1KMT2AMAPT
SCHEMBL29691266 0.80 GPR119 (0.51) GPR119ALDH1A1LMNANAMPTMEN1
SCHEMBL23209949 0.80 GPR119 (0.51) GPR119ALDH1A1LMNANAMPTMEN1
SCHEMBL4854592 0.78 MEN1 (0.64) GPR119ALDH1A1LMNANAMPTDRD2
SCHEMBL16520806 0.78 DRD2 (0.63) GPR119STSDRD2DRD1DRD4
SCHEMBL4848246 0.78 SMN1; SMN2 (0.48) GPR119STSALDH1A1LMNAMEN1
SCHEMBL5104743 0.77 SSTR1 (0.48) GPR119ALDH1A1LMNANAMPTDRD2
SCHEMBL23228679 0.76 GPR119 (0.50) GPR119ALDH1A1LMNANAMPTMEN1
SCHEMBL5104610 0.76 PDE4B (0.53) GPR119NAMPTMEN1KMT2AKDM4E

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 GPR119 1241/4885STS 1169/4885ALDH1A1 139/4885

“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.