SCHEMBL4385737

SCHEMBL4385737

COc1cccc2[nH]cc(Sc3ccccc3CCCCNC(=O)OC(C)(C)C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
DRD2 P14416 5/20 0.44
IDO1 P14902 1/20 0.42
TACR1 P25103 1/20 0.42
PTGER3 P43115 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
PDPK1 O15530 1/20 0.39
CCNB2 O95067 1/20 0.39
PRKCB P05771 1/20 0.39
CDK1 P06493 1/20 0.39
LYN P07948 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CCNA1 P78396 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39

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
SCHEMBL4963737 0.89 TACR1 (0.40) MTNR1AMTNR1BDRD2IDO1TACR1
SCHEMBL4387028 0.84 HTR2A (0.45) MTNR1AMTNR1BDRD2IDO1PTGER3
SCHEMBL4388802 0.83 HTR6 (0.43) MTNR1AMTNR1BIDO1TACR1PTGER3
SCHEMBL4389932 0.81 HTR2A (0.46) MTNR1AMTNR1BIDO1PTGER3
SCHEMBL25734922 0.79 MTNR1A (0.73) MTNR1AMTNR1BDRD2IDO1TACR1
SCHEMBL4974032 0.76 HTR2A (0.45) MTNR1AMTNR1BIDO1PTGER3
SCHEMBL1399346 0.75 HTR2A (0.66) MTNR1AMTNR1BIDO1PTGER3
SCHEMBL1399273 0.74 KMT2A (0.49) MTNR1AMTNR1BIDO1PTGER3
SCHEMBL4396116 0.72 SLC6A4 (0.43) IDO1PTGER3
SCHEMBL7846607 0.71 FAAH (0.58) MTNR1AIDO1

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 3 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
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 MTNR1A 193/4885MTNR1B 89/4885DRD2 1133/4885

“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.