SCHEMBL10042369

SCHEMBL10042369

CC(C)N1CCC[C@H](CN2CCCCC2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.53
ADRA2C P18825 1/20 0.53
KCNH2 Q12809 3/20 0.46
CCR2 P41597 1/20 0.46
ACHE P22303 1/20 0.43
CYP2D6 P10635 7/20 0.37
GHSR Q92847 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HRH3 Q9Y5N1 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL12536264 1.00 CHRM5 (0.53) CHRM5ADRA2CKCNH2CCR2ACHE
SCHEMBL10042370 1.00 CHRM5 (0.53) CHRM5ADRA2CKCNH2CCR2ACHE
SCHEMBL15242460 0.98 CHRM5 (0.50) CHRM5ADRA2CKCNH2CCR2ACHE
SCHEMBL24890774 0.91 CHRM5 (0.50) CHRM5ADRA2CKCNH2CCR2ACHE
SCHEMBL19083160 0.91 CHRM5 (0.50) CHRM5ADRA2CKCNH2CCR2ACHE
SCHEMBL15242464 0.89 CHRM5 (0.47) CHRM5ADRA2CKCNH2CCR2ACHE
SCHEMBL23205756 0.89 CHRM5 (0.47) CHRM5ADRA2CKCNH2CCR2ACHE
SCHEMBL19782222 0.85 CHRM5 (0.50) CHRM5ADRA2CKCNH2CCR2ACHE
SCHEMBL19768956 0.85 CHRM5 (0.50) CHRM5ADRA2CKCNH2CCR2ACHE
SCHEMBL24832951 0.85 KCNH2 (0.44) CHRM5ADRA2CKCNH2CCR2ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 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-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning ANTXR2, ABAT, BAX CHRM5 4238/4885ADRA2C 1146/4885KCNH2 3086/4885

“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.