SCHEMBL27348451

SCHEMBL27348451

CN1CCN(c2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4)CC3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.52
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 2/20 0.49
MAPT P10636 1/20 0.49
PLOD2 O00469 1/20 0.46
PLOD3 O60568 1/20 0.46
PLOD1 Q02809 1/20 0.46
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53BP1 Q12888 1/20 0.45
MBTD1 Q05BQ5 1/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43

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 SCHEMBL30690921 0.99 KHK (0.51) KHKL3MBTL3L3MBTL1TSHRMAPK1
Hydrochloric Acid SCHEMBL27147474 0.99 KHK (0.51) KHKL3MBTL3L3MBTL1TSHRMAPK1
Hydrochloric Acid SCHEMBL27147475 0.99 KHK (0.51) KHKL3MBTL3L3MBTL1TSHRMAPK1
Hydrochloric Acid SCHEMBL30019151 0.85 HRH2 (0.42) KHKMAPT
SCHEMBL23868438 0.79 L3MBTL3 (0.64) L3MBTL3L3MBTL1TSHRMAPK1LMNA
SCHEMBL29165129 0.78 USP2 (0.51) L3MBTL3L3MBTL1TSHRMAPK1LMNA
SCHEMBL27142178 0.78 USP2 (0.51) L3MBTL3L3MBTL1TSHRMAPK1LMNA
SCHEMBL3832732 0.77 DPP4 (0.57) L3MBTL1LMNAHTT
SCHEMBL3331942 0.77 DPP4 (0.57) L3MBTL1LMNAHTT
SCHEMBL3331935 0.77 DPP4 (0.57) L3MBTL1LMNAHTT

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 KHK 959/4885L3MBTL3 4876/4885L3MBTL1 4853/4885

“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.