SCHEMBL27340905

SCHEMBL27340905

O=C([C@@H]1CCCN1)N1CC2CCC(C1)N2C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.45
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNB4 P30926 2/20 0.43
▸ CHRNA3 P32297 2/20 0.43
▸ CHRNA7 P36544 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ DPP4 P27487 3/20 0.41
▸ DPP8 Q6V1X1 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL3 Q96JM7 2/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ MBTD1 Q05BQ5 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.39
▸ CTSC P53634 1/20 0.38
▸ ELOVL6 Q9H5J4 1/20 0.38

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
Hydrochloric Acid SCHEMBL27142179 0.99 PARP1 (0.44) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL30020095 0.81 UCHL1 (0.46) DPP4DPP8ANPEP
SCHEMBL27346676 0.79 PARP1 (0.42) PARP1DPP4DPP8DPP9ANPEP
SCHEMBL27154398 0.73 — —
Biphenyl SCHEMBL7623968 0.72 HDAC2 (0.52) PARP1DPP4DPP8DPP9ANPEP
SCHEMBL14194351 0.72 DPP8 (0.56) PARP1DPP4DPP8DPP9
SCHEMBL30968080 0.72 NPSR1 (0.56) DPP4ALDH1A1HPGD
SCHEMBL30968043 0.72 NPSR1 (0.56) DPP4ALDH1A1HPGD
SCHEMBL12426761 0.72 CDK4 (0.51) L3MBTL3L3MBTL1MBTD1HPGD
SCHEMBL24896687 0.71 HRH2 (0.46) PARP1DPP4DPP8DPP9ANPEP

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 2 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
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 PARP1 1006/4885CHRNB2 621/4885CHRNB4 913/4885

“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.

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