SCHEMBL24853530

SCHEMBL24853530

CC(C)(C)NCCC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
OPRL1 P41146 11/20 0.36
BRD4 O60885 1/20 0.33
DAO P14920 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL18355945 0.84 SAT1 (0.33)
SCHEMBL17917288 0.84 SAT1 (0.33)
SCHEMBL12543777 0.83 KDM1A (0.41) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL4569284 0.80 KCNH3 (0.33) KDM1AMAOAMAOBDAO
SCHEMBL24170962 0.79 NAMPT (0.34) BRD4
SCHEMBL24171126 0.79 NAMPT (0.34) BRD4
SCHEMBL21099156 0.78 CHRM2 (0.43) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL10153790 0.77 SIGMAR1 (0.42) KDM1AMAOAMAOBCHRM2CHRM1
SCHEMBL629231 0.77 SIGMAR1 (0.47) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL21061372 0.77 CHRM2 (0.42) KDM1AMAOAMAOBCHRM2CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20230002369-A1 Bcl-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-01-05 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 (2 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-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 KDM1A 3350/4885MAOA 3486/4885MAOB 1591/4885
US-20230002369-A1 Bcl-2 INHIBITORS BCL2, BCL2L1, BCL2L2 KDM1A 2400/4885MAOA 3912/4885MAOB 2873/4885

“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.