SCHEMBL25824759

SCHEMBL25824759

CC[C@@H]1CCCN1Cc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 3/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SPHK1 Q9NYA1 6/20 0.50
SPHK2 Q9NRA0 6/20 0.50
RXFP1 Q9HBX9 1/20 0.48
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
ATM Q13315 1/20 0.45
PARP1 P09874 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13215732 0.85 ALDH1A1 (0.57) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL9893059 0.85 MAPK1 (0.56) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL9892993 0.84 MAPK1 (0.55) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL3572935 0.84 ALDH1A1 (0.60) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL24108929 0.84 HDAC8 (0.44) MAPK1ALDH1A1SPHK1SPHK2HDAC8
SCHEMBL1242026 0.84 SPHK1 (0.60) SPHK1SPHK2
SCHEMBL1239254 0.84 SPHK1 (0.60) SPHK1SPHK2
SCHEMBL1239249 0.84 SPHK1 (0.60) SPHK1SPHK2
SCHEMBL3563591 0.84 HDAC8 (0.51) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL13343697 0.84 HDAC8 (0.51) MAPK1ALDH1A1CRHBPCRHR2SMN1; 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 MAPK1 253/4885ALDH1A1 1303/4885CRHBP 2245/4885

“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.