SCHEMBL29326322

SCHEMBL29326322

CC(C)(N)C1CC2(CCN(CCN)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL9586265 0.73 ALDH1A1 (0.65) ALOX15CYP1A2CYP2D6ALDH1A1TDP1
SCHEMBL16231599 0.72 ALOX15 (0.60) ALOX15CYP1A2CYP2D6ALDH1A1
SCHEMBL19436678 0.71 ALDH1A1 (0.43) ALDH1A1TDP1
SCHEMBL24951690 0.69 ALOX15 (0.55) ALOX15CYP1A2CYP2D6
SCHEMBL25664601 0.68 CYP1A2 (0.34) ALOX15CYP1A2CYP2D6
SCHEMBL15112753 0.67 CYP1A2 (0.41) ALOX15CYP1A2CYP2D6
SCHEMBL18459035 0.67 ALOX15 (0.46) ALOX15
SCHEMBL14993202 0.66 ALOX15 (0.50) ALOX15CYP1A2CYP2D6
SCHEMBL3318265 0.66 ALOX15 (0.50) ALOX15CYP1A2CYP2D6
SCHEMBL25823724 0.66 ALOX15 (0.50) ALOX15CYP2D6ALDH1A1

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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 ALOX15 2938/4885CYP1A2 3232/4885CYP2D6 4042/4885

“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.