SCHEMBL25814798

SCHEMBL25814798

CC1CC2(CCN(C3CCC4(CCNCC4)C3)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22737182 0.90 CYP1A2 (0.33) CYP1A2HRH3L3MBTL3L3MBTL1
SCHEMBL26748933 0.88 HRH3 (0.34) CYP1A2HRH3L3MBTL3L3MBTL1
SCHEMBL26752530 0.83 HRH3 (0.33) HRH3
SCHEMBL24185486 0.83 HRH3 (0.33) CYP1A2HRH3L3MBTL3L3MBTL1
SCHEMBL25856032 0.81 L3MBTL3 (0.33) CYP1A2HRH3L3MBTL3L3MBTL1
SCHEMBL25508591 0.81 HRH3 (0.31) HRH3L3MBTL3L3MBTL1
SCHEMBL24185456 0.80 HRH3 (0.32) HRH3L3MBTL3L3MBTL1
SCHEMBL24185483 0.80 TSHR (0.33) CYP1A2HRH3
SCHEMBL24185940 0.80 HRH3 (0.33) HRH3L3MBTL3L3MBTL1
SCHEMBL25513290 0.79 CYP1A2 (0.30) CYP1A2

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-20230219906-A1 MACROCYCLIC-2-AMINO-3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-13 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-20230219906-A1 MACROCYCLIC-2-AMINO-3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BCL2A1 CYP1A2 3092/4885HRH3 3330/4885L3MBTL3 1000/4885

“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.