SCHEMBL4388625

SCHEMBL4388625

CN(CCc1ccccc1Sc1c[nH]c2cccc(F)c12)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
CDK4 P11802 11/20 0.41
CCND1 P24385 11/20 0.41
SLC6A2 P23975 2/20 0.37
HTR1F P30939 1/20 0.36
HTR1A P08908 2/20 0.35
DRD1 P21728 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1E P28566 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR5A P47898 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL4393858 0.89 CDK4 (0.43) HTR2AHTR2CHTR2BCDK4CCND1
SCHEMBL4387834 0.85 CDK4 (0.47) CDK4CCND1
SCHEMBL4395382 0.85 MPO (0.39) CDK4CCND1
SCHEMBL4388601 0.83 SLC6A4 (0.47) HTR2AHTR2CHTR2BCDK4CCND1
SCHEMBL4389097 0.83 CDK4 (0.42) HTR2AHTR2CHTR2BCDK4CCND1
SCHEMBL4396116 0.82 SLC6A4 (0.43) HTR2AHTR2CHTR2BCDK4CCND1
SCHEMBL4388802 0.82 HTR6 (0.43) HTR2AHTR2CHTR2BCDK4CCND1
SCHEMBL4397592 0.82 IDO1 (0.51) HTR2ACDK4CCND1
SCHEMBL4381230 0.82 CDK4 (0.43) HTR2ACDK4CCND1SLC6A2HTR1A
SCHEMBL4391535 0.81 CDK4 (0.51) CDK4CCND1

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
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 WO disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 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-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 HTR2A 121/4885HTR2C 73/4885HTR2B 52/4885

“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.