SCHEMBL18239759

SCHEMBL18239759

COc1cc2c([C@@H](C)CNC(C)=O)cn(S(=O)(=O)c3ccc(C)cc3)c2cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.52
MTNR1B P49286 6/20 0.52
HTR6 P50406 4/20 0.42
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ALOX5 P09917 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM1A O60341 1/20 0.38
PTGS2 P35354 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
SCHEMBL18239758 0.90 MTNR1A (0.48) MTNR1AMTNR1BHTR6ALOX5PTGS2
SCHEMBL18239706 0.89 MTNR1A (0.43) MTNR1AMTNR1BHTR6PDE4APDE4B
SCHEMBL18239684 0.85 MTNR1A (0.66) MTNR1AMTNR1BHTR6
SCHEMBL18239760 0.84 MTNR1A (0.38) MTNR1AMTNR1BHTR6PDE4APDE4B
SCHEMBL18239835 0.82 MTNR1A (0.47) MTNR1AMTNR1BHTR6PDE4APDE4B
SCHEMBL18239683 0.81 MTNR1A (0.43) MTNR1AMTNR1BHTR6PDE4APDE4B
SCHEMBL20514298 0.81 MTNR1A (0.43) MTNR1AMTNR1BHTR6PDE4APDE4B
SCHEMBL18239852 0.79 MTNR1A (0.43) MTNR1AMTNR1BHTR6ALOX5
SCHEMBL7055812 0.78 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL18222552 0.78 MTNR1A (0.51) MTNR1AMTNR1BHTR6ALOX5KDM1A

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 2/4885HTR6 129/4885

“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.