SCHEMBL18222560

SCHEMBL18222560

CCC(=O)NCCc1c(C)[nH]c2ccc(OC)cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.78
MTNR1B P49286 7/20 0.78
ALDH1A1 P00352 1/20 0.65
MAPT P10636 5/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HTT P42858 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 2/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
SPR P35270 1/20 0.61
AKR1C2 P52895 1/20 0.60
NQO2 P16083 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALOX12 P18054 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL31543713 0.88 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1MAPTMEN1
SCHEMBL8946916 0.88 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1MAPTMEN1
SCHEMBL6950433 0.87 ALDH1A1 (0.70) MTNR1AMTNR1BALDH1A1POLBNQO2
SCHEMBL18239837 0.86 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1MAPTMEN1
SCHEMBL15427780 0.85 ALDH1A1 (0.64) MTNR1AMTNR1BALDH1A1POLBNQO2
SCHEMBL8946895 0.85 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1MAPTMEN1
SCHEMBL3227065 0.85 MTNR1A (0.77) MTNR1AMTNR1BALDH1A1MAPTMEN1
SCHEMBL15427778 0.84 ALDH1A1 (0.63) MTNR1AMTNR1BALDH1A1POLBNQO2
SCHEMBL4241544 0.83 MTNR1B (0.73) MTNR1AMTNR1BALDH1A1MAPTMEN1
SCHEMBL3382094 0.82 MTNR1A (0.72) MTNR1AMTNR1BALDH1A1MAPTMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095781-B1 INDOLE COMPOUND ASTELLAS PHARMA INC (JP) 2018-10-03 EP disclosed
US-9637451-B2 Indole compound ASTELLAS PHARMA INC. (JP) 2017-05-02 US disclosed
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
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
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 2/4885ALDH1A1 939/4885

“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.