SCHEMBL16410352

SCHEMBL16410352

CCc1ccc(CC(=O)OC(C)(C)C)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
SLC7A5 Q01650 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AKT1 P31749 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RIPK1 Q13546 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
GABRA1 P14867 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
SCHEMBL7590349 0.91 ALDH1A1 (0.49) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL28069959 0.88 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL16410349 0.88 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL6766157 0.83 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL7591321 0.82 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL16410216 0.82 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL7594650 0.81 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL16410342 0.81 MTNR1A (0.47) MTNR1AMTNR1BRIPK1GABRA1GABRG2
SCHEMBL10314503 0.80 ALDH1A1 (0.36) ALDH1A1GAAGFERKDM4EMAPT
SCHEMBL16410202 0.79 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1GAAKDM4E

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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB MTNR1A 2124/4885MTNR1B 966/4885ALDH1A1 1468/4885

“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.