SCHEMBL29629564

SCHEMBL29629564

O=C(O)c1ccnn1C1CCCOC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.41
OPRM1 P35372 4/20 0.38
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
KMT2A Q03164 2/20 0.36
NR3C2 P08235 1/20 0.36
POLB P06746 1/20 0.35
RIPK1 Q13546 1/20 0.34
TYK2 P29597 1/20 0.33
PKM P14618 1/20 0.33
HCAR3 P49019 2/20 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
SCHEMBL22366382 0.91 KDM4C (0.42) KDM4COPRM1PIK3CDPIK3R2PIK3CA
SCHEMBL29629580 0.88 OPRM1 (0.43) KDM4COPRM1PIK3CDPIK3R2PIK3CA
SCHEMBL22637693 0.84 KMT2A (0.46) PIK3CDKMT2ANR3C2PKMHCAR3
SCHEMBL22637999 0.84 HCAR3 (0.43) PIK3CDKMT2ANR3C2PKMHCAR3
SCHEMBL26690735 0.83 KMT2A (0.45) PIK3CDKMT2ANR3C2PKMHCAR3
SCHEMBL22320386 0.81 HSD11B1 (0.41) KDM4CPIK3CDPIK3CAKMT2ANR3C2
SCHEMBL17437926 0.81 HCAR3 (0.41) KMT2ANR3C2PKMHCAR3
SCHEMBL22125893 0.79 OPRM1 (0.40) KDM4COPRM1PIK3CDPIK3R2PIK3CA
SCHEMBL22319884 0.74 F2 (0.40) KDM4COPRM1KMT2APOLB
SCHEMBL25564438 0.74 CNR2 (0.39) KDM4COPRM1KMT2APOLB

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 KDM4C 2209/4885OPRM1 4024/4885PIK3CD 197/4885

“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.