SCHEMBL24853617

SCHEMBL24853617

CC(C)N1CCCC1c1ccccc1OCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 3/20 0.45
▸ HTR1D P28221 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ RET P07949 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ P2RX3 P56373 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
SCHEMBL23323099 0.84 HTR1B (0.48) HTR1BHTR1DALDH1A1KDM4EHTR7
SCHEMBL24775062 0.81 HTR1B (0.45) HTR1BHTR1DALDH1A1KDM4EHTR7
SCHEMBL24775496 0.79 HSP90AA1 (0.47) ALDH1A1DRD2
SCHEMBL24775509 0.77 PARP1 (0.37) ALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL24774462 0.76 MC4R (0.36) —
SCHEMBL19421443 0.74 HSP90AA1 (0.44) ALDH1A1KDM4E
SCHEMBL24775436 0.73 CHRNA7 (0.36) —
SCHEMBL4105144 0.71 KCNH2 (0.41) —
SCHEMBL24775484 0.70 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL24775409 0.70 CHRNA7 (0.38) —

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-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 (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-20230002369-A1 Bcl-2 INHIBITORS BCL2, BCL2L1, BCL2L2 HTR1B 3627/4885HTR1D 4539/4885ALDH1A1 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.

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