SCHEMBL18239688

SCHEMBL18239688

COC(=O)NCCOc1ccc2c(c1)c(CCNC(C)=O)c(C)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.45
PTGDR Q13258 1/20 0.44
MTNR1A P48039 12/20 0.43
MTNR1B P49286 12/20 0.43
NQO2 P16083 1/20 0.43
MAPT P10636 2/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL18239831 0.93 MAPT (0.44) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18222515 0.93 PTGDR2 (0.48) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18239789 0.89 PTGDR2 (0.46) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18239754 0.88 HTR6 (0.57) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18239857 0.86 PTGDR2 (0.44) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18239682 0.85 MAPT (0.43) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18239866 0.85 PTGDR2 (0.43) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18239689 0.83 PTGDR2 (0.41) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18239687 0.83 PTGDR2 (0.45) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18222559 0.81 PTGDR2 (0.53) HTR6PTGDR2PTGDRMTNR1AMTNR1B

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 HTR6 129/4885PTGDR2 86/4885PTGDR 205/4885

“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.