SCHEMBL6766157

SCHEMBL6766157

CC(C)(C)OC(=O)Cc1ccc(N)cc1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.45
MTNR1B P49286 5/20 0.45
NR1H2 P55055 1/20 0.39
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
GAA P10253 3/20 0.35
MAPK1 P28482 3/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CASP1 P29466 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
SLC7A5 Q01650 1/20 0.33
RORC P51449 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL16410216 0.86 MTNR1A (0.44) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL27698058 0.84 MTNR1A (0.53) MTNR1AMTNR1BNR1H2EPHX2NR1H4
SCHEMBL16410342 0.84 MTNR1A (0.47) MTNR1AMTNR1BRORC
SCHEMBL12546275 0.84 MTNR1A (0.44) MTNR1AMTNR1BNR1H2EPHX2NR1H4
SCHEMBL27451229 0.84 NR1H4 (0.48) MTNR1AMTNR1BNR1H2EPHX2NR1H4
SCHEMBL16410352 0.83 MTNR1A (0.48) MTNR1AMTNR1BNR1H2GAAMAPT
SCHEMBL16410202 0.83 MTNR1A (0.48) MTNR1AMTNR1BGAAMAPTALDH1A1
SCHEMBL28069959 0.83 MTNR1A (0.48) MTNR1AMTNR1BNR1H2GAAMAPT
SCHEMBL2129842 0.81 ALDH1A1 (0.50) GAAMAPK1MAPTTSHRHTT
SCHEMBL15821497 0.81 KDM4E (0.42) MTNR1AMTNR1BNR1H2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 MTNR1A 283/4885MTNR1B 930/4885NR1H2 1377/4885

“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.