SCHEMBL18239754

SCHEMBL18239754

COc1ccc2c(c1)c(CCNC(C)=O)c(C)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.57
MTNR1A P48039 14/20 0.56
MTNR1B P49286 14/20 0.56
NQO2 P16083 4/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.54
PTGDR Q13258 1/20 0.54
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
MDM2 Q00987 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL18239786 0.90 HTR6 (0.56) HTR6MTNR1AMTNR1BNQO2PTGDR2
SCHEMBL18222517 0.90 HTR6 (0.56) HTR6MTNR1AMTNR1BPTGDR2PTGDR
SCHEMBL18239688 0.88 HTR6 (0.45) HTR6MTNR1AMTNR1BNQO2PTGDR2
SCHEMBL18239789 0.88 PTGDR2 (0.46) HTR6MTNR1AMTNR1BNQO2PTGDR2
SCHEMBL18222515 0.88 PTGDR2 (0.48) HTR6MTNR1AMTNR1BNQO2PTGDR2
SCHEMBL18222559 0.87 PTGDR2 (0.53) HTR6MTNR1AMTNR1BNQO2PTGDR2
SCHEMBL18239831 0.85 MAPT (0.44) HTR6MTNR1AMTNR1BNQO2PTGDR2
SCHEMBL18239857 0.85 PTGDR2 (0.44) HTR6MTNR1AMTNR1BNQO2PTGDR2
SCHEMBL18239687 0.84 PTGDR2 (0.45) HTR6MTNR1AMTNR1BNQO2PTGDR2
SCHEMBL18239765 0.83 PTGDR2 (0.48) HTR6MTNR1AMTNR1BNQO2PTGDR2

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 129/4885MTNR1A 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.