SCHEMBL25567744

SCHEMBL25567744

C1CCC(CCN2CCC(C3CCCC3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CHRM5 P08912 1/20 0.43
ADRA2C P18825 1/20 0.43
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 5/20 0.41
CHRM3 P20309 1/20 0.40
NPC1 O15118 1/20 0.38

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
SCHEMBL24146230 1.00 CYP1A2 (0.44) CYP1A2CHRM5ADRA2CACHESIGMAR1
SCHEMBL11850078 0.88 CYP1A2 (0.48) CYP1A2CHRM5ADRA2CACHESIGMAR1
SCHEMBL3218288 0.86 CHRM5 (0.58) CYP1A2CHRM5ADRA2CSIGMAR1CHRM3
SCHEMBL12945 0.86 CHRM5 (0.58) CYP1A2CHRM5ADRA2CSIGMAR1CHRM3
SCHEMBL30340999 0.86 CHRM5 (0.58) CYP1A2CHRM5ADRA2CSIGMAR1CHRM3
SCHEMBL24146232 0.84 CYP1A2 (0.42) CYP1A2CHRM5ADRA2CACHESIGMAR1
SCHEMBL10949210 0.83 CHRM5 (0.54) CYP1A2CHRM5ADRA2CSIGMAR1CHRM3
SCHEMBL24008480 0.83 KCNA3 (0.43) CYP1A2CHRM5ADRA2CACHESIGMAR1
SCHEMBL17828184 0.83 ACHE (0.64) CYP1A2CHRM5ADRA2CACHESIGMAR1
SCHEMBL10261041 0.80 CYP1A2 (0.47) CYP1A2CHRM5ADRA2CACHESIGMAR1

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-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-25 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-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK ALK, ERBB2, PDGFRB CYP1A2 3390/4885CHRM5 4230/4885ADRA2C 2442/4885

“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.