SCHEMBL20161760

SCHEMBL20161760

Cn1c(=O)c2c(ncn2C(=O)Nc2ccc(Nc3ccccc3)cc2)n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.48
RXFP1 Q9HBX9 6/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADORA2B P29275 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALOX15 P16050 1/20 0.45
PIK3CD O00329 1/20 0.45
POLB P06746 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CNR1 P21554 1/20 0.45
ACHE P22303 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
NTSR1 P30989 1/20 0.45
MC3R P41968 1/20 0.45
NOTUM Q6P988 1/20 0.45

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
SCHEMBL10114018 0.81 TRPA1 (0.74) TRPA1RXFP1TP53CYP1A2SMN1; SMN2
SCHEMBL20161622 0.76 NTRK1 (0.54) CYP1A2ALDH1A1MAPK1TSHR
SCHEMBL684090 0.76 ADORA2B (0.54) RXFP1CYP1A2ADORA2BSMN1; SMN2ALDH1A1
SCHEMBL4533692 0.75 RXFP1 (0.78) TRPA1RXFP1TP53CYP1A2SMN1; SMN2
SCHEMBL7020240 0.75 ADORA2B (0.62) RXFP1ADORA2BSMN1; SMN2ALDH1A1MAPK1
SCHEMBL10114217 0.74 PORCN (0.70) TRPA1RXFP1CYP1A2ADORA2BSMN1; SMN2
SCHEMBL11702678 0.74 ADORA2B (0.64) RXFP1ADORA2BSMN1; SMN2MAPK1PIK3CD
SCHEMBL20161768 0.73 MAOB (0.49) RXFP1TP53CYP1A2ADORA2BSMN1; SMN2
SCHEMBL5471122 0.72 ADORA2B (0.62) RXFP1ADORA2BSMN1; SMN2MAPK1PIK3CD
SCHEMBL10114180 0.72 PORCN (0.76) TRPA1RXFP1TP53CYP1A2SMN1; SMN2

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 TRPA1 1/4885RXFP1 1374/4885TP53 4574/4885

“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.