SCHEMBL24775509

SCHEMBL24775509

CC(C)N1CCCC1c1ccccc1OC1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34

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
SCHEMBL24775945 0.88 HTR2C (0.39) SMN1; SMN2KDM4ENPY1RNPY2R
SCHEMBL24775496 0.85 HSP90AA1 (0.47) DRD2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL23323112 0.81 CHRNB2 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19421443 0.77 HSP90AA1 (0.44) PARP1HSP90AA1HSP90AB1CHRNA7KDM4E
SCHEMBL24774523 0.77 HSP90AA1 (0.36) DRD2HSP90AA1HSP90AB1SMN1; SMN2CHRNA7
SCHEMBL24775488 0.76 CHRNA7 (0.38) PARP1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL23323406 0.76 HSP90AA1 (0.43) HSP90AA1HSP90AB1CHRNA7KDM4EALDH1A1
SCHEMBL24775410 0.76 CHRNA7 (0.38) PARP1CHRNA7
SCHEMBL24775409 0.76 CHRNA7 (0.38) PARP1CHRNA7
SCHEMBL24775484 0.76 ALDH1A1 (0.43) PARP1SMN1; SMN2CHRNA7KDM4EALDH1A1

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 392/4885HTR1A 4223/4885ADRA2A 3870/4885

“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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