SCHEMBL24775072

SCHEMBL24775072

COc1ccccc1[C@@H]1CCCN1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.45
▸ DRD2 P14416 1/20 0.43
▸ PPIB P23284 1/20 0.43
▸ PPID Q08752 1/20 0.43
▸ PPIG Q13427 1/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL24775174 1.00 HSP90AA1 (0.47) HSP90AA1HSP90AB1ALDH1A1LMNADRD2
SCHEMBL24774523 0.85 HSP90AA1 (0.36) HSP90AA1HSP90AB1ALDH1A1LMNADRD2
SCHEMBL24775068 0.84 HTR2A (0.40) LMNAHTR2CMEN1KMT2A
SCHEMBL24774525 0.84 HTR2A (0.40) LMNAHTR2CMEN1KMT2A
SCHEMBL24774521 0.84 CHRNA7 (0.44) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL24775070 0.84 SMN1; SMN2 (0.49) ALDH1A1HTR2CMEN1KMT2A
SCHEMBL24774520 0.84 HCRTR2 (0.46) DRD2HTR2C
SCHEMBL24775175 0.84 SMN1; SMN2 (0.49) ALDH1A1HTR2CMEN1KMT2A
SCHEMBL24774522 0.84 HTR2A (0.39) ALDH1A1
SCHEMBL24774524 0.83 ADRA1A (0.41) HSP90AA1HSP90AB1ALDH1A1KMT2A

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 2 patents. 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
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 (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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 HSP90AA1 444/4885HSP90AB1 160/4885ALDH1A1 3125/4885
US-20230002369-A1 Bcl-2 INHIBITORS BCL2, BCL2L1, BCL2L2 HSP90AA1 444/4885HSP90AB1 160/4885ALDH1A1 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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