SCHEMBL29629580

SCHEMBL29629580

NC(=O)c1ccnn1C1CCCOC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
NR3C2 P08235 1/20 0.38
KDM4C Q9H3R0 2/20 0.37
TYK2 P29597 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
KMT2A Q03164 3/20 0.33
PKM P14618 2/20 0.33
POLB P06746 1/20 0.33
SRC P12931 1/20 0.33
ATR Q13535 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22125893 0.91 OPRM1 (0.40) OPRM1KDM4CTYK2PIK3CDPIK3R2
SCHEMBL29629564 0.88 KDM4C (0.41) OPRM1NR3C2KDM4CTYK2PIK3CD
SCHEMBL26416283 0.84 NR3C2 (0.49) NR3C2PIK3CDKMT2APKMMEN1
SCHEMBL26396444 0.84 NR3C2 (0.46) OPRM1NR3C2PIK3CDPIK3CAKMT2A
SCHEMBL14335305 0.83 NR3C2 (0.48) NR3C2PIK3CDKMT2APKMPOLB
SCHEMBL4043341 0.81 KMT2A (0.43) NR3C2PIK3CDKMT2APKMMEN1
SCHEMBL22366382 0.79 KDM4C (0.42) OPRM1KDM4CPIK3CDPIK3R2PIK3CA
SCHEMBL7876651 0.76 TYK2 (0.41) OPRM1KDM4CTYK2POLBSRC
SCHEMBL30875144 0.75 PARP1 (0.44) NR3C2KMT2APKMMEN1ALDH1A1
SCHEMBL14335158 0.75 KMT2A (0.54) OPRM1NR3C2KMT2A

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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BTK, LYN, LCK OPRM1 4024/4885NR3C2 866/4885KDM4C 2209/4885

“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.