SCHEMBL20161798

SCHEMBL20161798

COc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.73
TP53 P04637 2/20 0.71
ALOX15 P16050 1/20 0.71
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
TRPA1 O75762 2/20 0.67
ALDH1A1 P00352 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTT P42858 1/20 0.67
LMNA P02545 1/20 0.66
THRB P10828 1/20 0.66
GAA P10253 1/20 0.64
USP2 O75604 1/20 0.63
PORCN Q9H237 1/20 0.61

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
SCHEMBL10114131 0.91 RXFP1 (0.75) RXFP1TP53ALOX15CYP1A2CYP3A4
SCHEMBL3795179 0.89 RXFP1 (0.68) RXFP1TP53ALOX15CYP1A2CYP3A4
SCHEMBL17628697 0.88 ALOX15 (0.69) RXFP1TP53ALOX15CYP1A2TRPA1
SCHEMBL30128448 0.88 ALOX15 (0.69) RXFP1TP53ALOX15CYP1A2TRPA1
SCHEMBL10113849 0.86 RXFP1 (0.79) RXFP1TP53ALOX15CYP1A2TRPA1
SCHEMBL18166574 0.85 RXFP1 (0.76) RXFP1TP53ALOX15CYP1A2TRPA1
SCHEMBL10114522 0.84 ALOX15 (0.78) RXFP1TP53ALOX15CYP1A2CYP3A4
SCHEMBL10114298 0.84 CYP1A2 (0.82) RXFP1TP53ALOX15CYP1A2CYP3A4
SCHEMBL10114015 0.84 RXFP1 (0.74) RXFP1TP53ALOX15CYP1A2TRPA1
SCHEMBL17626253 0.84 ALOX15 (0.74) RXFP1TP53ALOX15CYP1A2TRPA1

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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RXFP1 1374/4885TP53 4574/4885ALOX15 148/4885

“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.