SCHEMBL18239684

SCHEMBL18239684

COc1ccc2c(c1)c(C(C)CNC(C)=O)cn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.66
MTNR1B P49286 5/20 0.66
HTR6 P50406 13/20 0.53
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
HTR2A P28223 1/20 0.44

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
SCHEMBL18222552 0.88 MTNR1A (0.51) MTNR1AMTNR1BHTR6PPARGPPARD
SCHEMBL18239835 0.87 MTNR1A (0.47) MTNR1AMTNR1BHTR6
SCHEMBL18239758 0.86 MTNR1A (0.48) MTNR1AMTNR1BHTR6
SCHEMBL18239759 0.85 MTNR1A (0.52) MTNR1AMTNR1BHTR6
SCHEMBL18222499 0.83 MTNR1A (0.47) MTNR1AMTNR1BHTR6PPARGPPARD
SCHEMBL20514298 0.81 MTNR1A (0.43) MTNR1AMTNR1BHTR6
SCHEMBL18239683 0.81 MTNR1A (0.43) MTNR1AMTNR1BHTR6
SCHEMBL18239706 0.81 MTNR1A (0.43) MTNR1AMTNR1BHTR6
SCHEMBL3017284 0.80 HTR6 (0.68) MTNR1AMTNR1BHTR6PPARGPPARD
SCHEMBL18239852 0.80 MTNR1A (0.43) MTNR1AMTNR1BHTR6

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.