SCHEMBL18239685

SCHEMBL18239685

CC(=O)NCC(C)(C)c1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(F)c(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
ALOX5 P09917 4/20 0.39
PTGS2 P35354 1/20 0.38
ALK Q9UM73 1/20 0.37
HTR6 P50406 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 1/20 0.34
UBE2N P61088 1/20 0.34
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL18239686 0.88 MTNR1A (0.47) MTNR1AMTNR1BALOX5PTGS2HTR6
SCHEMBL20514298 0.81 MTNR1A (0.43) MTNR1AMTNR1BALOX5PTGS2ALK
SCHEMBL18239683 0.81 MTNR1A (0.43) MTNR1AMTNR1BALOX5PTGS2ALK
SCHEMBL18222546 0.80 HTR6 (0.47) MTNR1AMTNR1BALOX5PTGS2ALK
SCHEMBL18239834 0.80 MTNR1A (0.38) MTNR1AMTNR1BALOX5PTGS2ALK
SCHEMBL18239711 0.79 MTNR1A (0.38) MTNR1AMTNR1BALOX5PTGS2ALK
SCHEMBL18239784 0.73 HTR6 (0.45) ALOX5PTGS2ALKHTR6PDE4A
SCHEMBL18239705 0.71 PTGDR2 (0.50) MTNR1AMTNR1BKDM4EL3MBTL1PTGDR2
SCHEMBL28100864 0.70 MTNR1A (0.44) MTNR1AMTNR1BHTR6KDM4E
SCHEMBL18239706 0.69 MTNR1A (0.43) MTNR1AMTNR1BALOX5PTGS2ALK

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
US-9637451-B2 Indole compound ASTELLAS PHARMA INC. (JP) 2017-05-02 US disclosed
EP-3095781-A1 INDOLE COMPOUND Astellas Pharma Inc. (JP) 2016-11-23 EP disclosed
US-20160332966-A1 INDOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2016-11-17 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-20160332966-A1 INDOLE COMPOUND MTNR1A, MTNR1B, IDO2 MTNR1A 1/4885MTNR1B 2/4885ALOX5 1714/4885

“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.