SCHEMBL24775412

SCHEMBL24775412

CC(C)N1CCC[C@@H]1c1ccccc1C1CCC(C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
TSHR P16473 1/20 0.37
SCN3A Q9NY46 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TDP2 O95551 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HKDC1 Q2TB90 1/20 0.36

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
SCHEMBL24775409 0.82 CHRNA7 (0.38) PARP1
SCHEMBL24775410 0.82 CHRNA7 (0.38) PARP1
SCHEMBL24853453 0.81 CHRNA7 (0.37) PARP1
SCHEMBL24853514 0.80 RIPK1 (0.39) KMT2AALDH1A1TDP1TSHRKDM4E
SCHEMBL24853616 0.78 PARP1 (0.35) PARP1
SCHEMBL24775089 0.76 CYP2D6 (0.41) KMT2AMEN1POLBCASP3
SCHEMBL19862550 0.74 HSP90AA1 (0.43) ALDH1A1KDM4E
SCHEMBL23323406 0.74 HSP90AA1 (0.43) ALDH1A1KDM4E
SCHEMBL19421443 0.72 HSP90AA1 (0.44) PARP1ALDH1A1KDM4E
SCHEMBL24774543 0.72 PARP1 (0.45) PARP1PARP2

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 392/4885KMT2A 2464/4885ALDH1A1 3125/4885

“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.