SCHEMBL18239689

SCHEMBL18239689

CC(=O)NCCc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(OCCn3ccc(C)n3)cc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.41
MTNR1A P48039 12/20 0.40
MTNR1B P49286 12/20 0.40
NQO2 P16083 1/20 0.40
HTR6 P50406 1/20 0.40
PTGDR Q13258 1/20 0.39
PLA2G4A P47712 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL18222509 0.92 PTGDR2 (0.40) PTGDR2MTNR1AMTNR1BHTR6PTGDR
SCHEMBL18239791 0.92 PTGDR2 (0.40) PTGDR2MTNR1AHTR6PTGDRPLA2G4A
SCHEMBL18239708 0.88 PTGDR2 (0.40) PTGDR2MTNR1AMTNR1BNQO2PTGDR
SCHEMBL18239857 0.85 PTGDR2 (0.44) PTGDR2MTNR1AMTNR1BNQO2HTR6
SCHEMBL18222515 0.85 PTGDR2 (0.48) PTGDR2MTNR1AMTNR1BNQO2HTR6
SCHEMBL18239789 0.85 PTGDR2 (0.46) PTGDR2MTNR1AMTNR1BNQO2HTR6
SCHEMBL18239688 0.83 HTR6 (0.45) PTGDR2MTNR1AMTNR1BNQO2HTR6
SCHEMBL18239831 0.82 MAPT (0.44) PTGDR2MTNR1AMTNR1BNQO2HTR6
SCHEMBL18239754 0.82 HTR6 (0.57) PTGDR2MTNR1AMTNR1BNQO2HTR6
SCHEMBL18800006 0.81 MTNR1A (0.45) MTNR1AMTNR1BNQO2PLA2G4A

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 PTGDR2 86/4885MTNR1A 1/4885MTNR1B 2/4885

“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.