SCHEMBL27154397

SCHEMBL27154397

CN1CCN(C(=O)C(N)Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.71
CHRM1 P11229 5/20 0.69
HDAC8 Q9BY41 5/20 0.68
AKT1 P31749 3/20 0.56
PLAU P00749 1/20 0.56
PLAUR Q03405 1/20 0.56
OPRD1 P41143 1/20 0.56
AKT2 P31751 1/20 0.56
AKT3 Q9Y243 1/20 0.56
DPP4 P27487 2/20 0.53
OPRK1 P41145 1/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53

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
SCHEMBL7214004 1.00 HSD17B10 (0.71) HSD17B10CHRM1HDAC8AKT1PLAU
SCHEMBL11226904 1.00 HSD17B10 (0.71) HSD17B10CHRM1HDAC8AKT1PLAU
Hydrochloric Acid SCHEMBL27547045 0.98 HDAC8 (0.69) HSD17B10CHRM1HDAC8AKT1PLAU
Hydrochloric Acid SCHEMBL6898277 0.98 HDAC8 (0.69) HSD17B10CHRM1HDAC8AKT1PLAU
SCHEMBL6161206 0.89 HDAC8 (0.66) HSD17B10CHRM1HDAC8AKT1PLAU
SCHEMBL7371854 0.88 DPP7 (0.57) HSD17B10CHRM1HDAC8DPP4
SCHEMBL7372150 0.88 DPP7 (0.57) HSD17B10CHRM1HDAC8DPP4
SCHEMBL5891540 0.88 HDAC8 (0.60) HSD17B10CHRM1HDAC8OPRD1DPP4
SCHEMBL29496465 0.87 CHRM1 (0.58) HSD17B10CHRM1HDAC8OPRD1DPP4
Hydrochloric Acid SCHEMBL5891327 0.86 HDAC8 (0.61) HSD17B10CHRM1HDAC8OPRD1DPP4

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-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
EP-4326724-A1 COMPOUND AS ADENOSINE A2A RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2024-02-28 EP disclosed
CN-117120443-A Compounds as adenosine A2a receptor antagonists and pharmaceutical compositions containing the same 株式会社 钟根堂 2023-11-24 CN 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 2827/4885CHRM1 137/4885HDAC8 3496/4885

“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.