SCHEMBL4388802

SCHEMBL4388802

COc1cccc2[nH]cc(Sc3ccccc3CCCN(C)C(=O)OC(C)(C)C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
PTGER3 P43115 2/20 0.39
HTR2A P28223 4/20 0.38
TACR1 P25103 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR1A P08908 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
IDO1 P14902 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
SCHEMBL4388601 0.88 SLC6A4 (0.47) CDK4CCND1PTGER3HTR2ASLC6A2
SCHEMBL4963737 0.87 TACR1 (0.40) MTNR1AMTNR1BCDK4CCND1TACR1
SCHEMBL4396116 0.85 SLC6A4 (0.43) CDK4CCND1PTGER3HTR2ASLC6A2
SCHEMBL4391454 0.85 SMN1; SMN2 (0.45) HTR6CDK4CCND1HTR2AHTR2C
SCHEMBL4385737 0.83 MTNR1A (0.46) MTNR1AMTNR1BPTGER3TACR1IDO1
SCHEMBL4388625 0.82 HTR2A (0.45) HTR6CDK4CCND1HTR2ASLC6A2
SCHEMBL4393858 0.82 CDK4 (0.43) HTR6CDK4CCND1PTGER3HTR2A
SCHEMBL4397673 0.82 SMN1; SMN2 (0.44) HTR6CDK4CCND1HTR2AHTR2C
SCHEMBL4396269 0.80 IDO1 (0.45) HTR6MTNR1AMTNR1BCDK4CCND1
SCHEMBL4393850 0.80 ACHE (0.40) CDK4CCND1SLC6A2NPC1HTR1A

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 HTR6 144/4885MTNR1A 193/4885MTNR1B 89/4885

“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.