SCHEMBL24775445

SCHEMBL24775445

CC(C)c1ccccc1C1CCCCN1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
PARP2 Q9UGN5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNA7 P36544 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 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
SCHEMBL24775488 0.95 CHRNA7 (0.38) PARP1OPRM1OPRK1MEN1KMT2A
SCHEMBL21566687 0.83 CHRNB2 (0.49) OPRM1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL24775409 0.79 CHRNA7 (0.38) PARP1OPRM1OPRK1CHRNA7
SCHEMBL24853453 0.78 CHRNA7 (0.37) PARP1OPRM1OPRK1CHRNA7
SCHEMBL24775428 0.78 MEN1 (0.34) OPRM1OPRK1MEN1KMT2ATDP1
SCHEMBL23323074 0.78 CHRNB2 (0.54) TDP1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL19421443 0.78 HSP90AA1 (0.44) PARP1KDM4ECHRNA7CHRNB2CHRNB4
SCHEMBL23323071 0.78 CHRNB2 (0.54) TDP1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL25628791 0.77 HTR2A (0.40) OPRM1OPRK1KDM4EMEN1KMT2A
SCHEMBL22213795 0.77 CHRNB2 (0.53) PARP1PARP2KDM4ECHRNA7CHRNB2

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-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 PARP1 392/4885OPRM1 4833/4885OPRK1 4318/4885

“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.