SCHEMBL3422155

SCHEMBL3422155

Cn1cc(Sc2ccccc2C2CCNCC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
HTR2C P28335 10/20 0.43
HTR6 P50406 1/20 0.43
CAMK2D Q13557 2/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCZ Q05513 1/20 0.41
PRKCD Q05655 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
ADRB2 P07550 1/20 0.40
KDM4E B2RXH2 1/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL5937271 0.81 HTR6 (0.57) SLC6A4HTR2CHTR6CAMK2DPRKCG
Hydrochloric Acid SCHEMBL30611185 0.79 SLC6A4 (0.57) SLC6A4HTR2CHTR6CAMK2DPRKCG
Hydrochloric Acid SCHEMBL5705102 0.79 SLC6A4 (0.57) SLC6A4HTR2CHTR6CAMK2DPRKCG
SCHEMBL3418894 0.75 HTR1A (0.60) SLC6A4HTR2CHTR6ADRB2HTR1A
SCHEMBL2469257 0.75 HTR2C (0.67) SLC6A4HTR2CHTR6ADRB2HTR1A
SCHEMBL1890136 0.72 HTR6 (0.50) SLC6A4HTR6CAMK2DPRKCGPRKCB
SCHEMBL3418785 0.72 HTR2C (0.64) SLC6A4HTR2CCAMK2DADRB2APP
SCHEMBL3546809 0.71 HTR2C (0.67) SLC6A4HTR2CHTR6HTR1ASLC6A2
SCHEMBL3539172 0.71 HTR2C (0.51) SLC6A4HTR2CADRB2HTR1ASLC6A2
SCHEMBL6710709 0.71 HTR2C (0.59) SLC6A4HTR2CADRB2HTR1ASLC6A2

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 SLC6A4 8/4885HTR2C 2/4885HTR6 25/4885

“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.