SCHEMBL18239686

SCHEMBL18239686

COc1cc2c(C(C)(C)CNC(C)=O)cn(S(=O)(=O)c3ccc(C)cc3)c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
ALOX5 P09917 2/20 0.43
HTR6 P50406 6/20 0.38
PTGS2 P35354 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL18239685 0.88 MTNR1A (0.42) MTNR1AMTNR1BALOX5HTR6PTGS2
SCHEMBL18239834 0.84 MTNR1A (0.38) MTNR1AMTNR1BALOX5HTR6PTGS2
SCHEMBL18239711 0.83 MTNR1A (0.38) MTNR1AMTNR1BALOX5HTR6PTGS2
SCHEMBL18239758 0.82 MTNR1A (0.48) MTNR1AMTNR1BALOX5HTR6PTGS2
SCHEMBL18222527 0.81 HTR6 (0.50) MTNR1AMTNR1BHTR6
SCHEMBL18800004 0.76 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL18239785 0.74 HTR6 (0.48) MTNR1AALOX5HTR6
SCHEMBL18239765 0.72 PTGDR2 (0.48) MTNR1AMTNR1BHTR6
SCHEMBL18239759 0.72 MTNR1A (0.52) MTNR1AMTNR1BALOX5HTR6PTGS2
SCHEMBL18222505 0.71 HTR6 (0.43) MTNR1AMTNR1BALOX5HTR6

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.