SCHEMBL25916783

SCHEMBL25916783

C=C(N1CCC(CN2CCC3(CCC(C(C)(C)C)CC3)CC2)CC1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
OPRL1 P41146 1/20 0.34
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HSD11B1 P28845 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
SCHEMBL25904153 0.84 ALOX15 (0.48) ALOX15CYP2D6CYP1A2OPRL1KCNH2
SCHEMBL25924571 0.72 CXCR3 (0.43) ALOX15
SCHEMBL29324717 0.70 CYP1A2 (0.42) ALOX15CYP2D6CYP1A2OPRL1KCNH2
SCHEMBL26138785 0.69 CXCR3 (0.49) CYP2D6KCNH2HRH3HSD11B1
SCHEMBL25856192 0.68 CYP1A2 (0.41) ALOX15CYP2D6CYP1A2OPRL1
SCHEMBL21934664 0.67 CYP1A2 (0.36) ALOX15CYP2D6CYP1A2OPRL1KCNH2
SCHEMBL17281941 0.67 EPHX2 (0.51) CYP2D6KCNH2HRH3HSD11B1
SCHEMBL25594298 0.67 CYP2D6 (0.43) CYP2D6CYP1A2
SCHEMBL29317714 0.66 CYP2D6 (0.44) ALOX15CYP2D6CYP1A2KCNH2HRH3
SCHEMBL12166744 0.66 ACHE (0.47) OPRL1HSD11B1

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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 ALOX15 2547/4885CYP2D6 2818/4885CYP1A2 4370/4885

“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.