SCHEMBL31049792

SCHEMBL31049792

CN1CCN(c2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)CC3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
UCHL1 P09936 2/20 0.49
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 1/20 0.44
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL29165086 1.00 HSD17B10 (0.49) HSD17B10UCHL1HRH2HRH1L3MBTL3
SCHEMBL27145826 1.00 HSD17B10 (0.49) HSD17B10UCHL1HRH2HRH1L3MBTL3
SCHEMBL30019310 0.95 HRH2 (0.45) HSD17B10UCHL1HRH2HRH1L3MBTL3
Hydrochloric Acid SCHEMBL30019151 0.91 HRH2 (0.42) HSD17B10UCHL1HRH2HRH1RXFP1
SCHEMBL27142178 0.86 USP2 (0.51) L3MBTL3L3MBTL1MAPT
SCHEMBL29165129 0.86 USP2 (0.51) L3MBTL3L3MBTL1MAPT
SCHEMBL3274885 0.81 HSD17B10 (0.71) HSD17B10UCHL1HRH2HRH1
SCHEMBL13779912 0.81 HSD17B10 (0.71) HSD17B10UCHL1HRH2HRH1
SCHEMBL6973694 0.81 HSD17B10 (0.71) HSD17B10UCHL1HRH2HRH1
SCHEMBL14494457 0.79 RIPK1 (0.47) UCHL1RXFP1

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-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 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-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B HSD17B10 2827/4885UCHL1 4251/4885HRH2 385/4885

“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.