SCHEMBL25533360

SCHEMBL25533360

CC(C)N1CCN(C(=O)[C@@](C)(N)CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.45
KCNH2 Q12809 4/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNA7 P36544 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
SCHEMBL25533363 1.00 HRH3 (0.45) HRH3KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL22249046 1.00 HRH3 (0.45) HRH3KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL3678338 0.82 HRH3 (0.50) HRH3KCNH2CYP2D6MEN1KMT2A
SCHEMBL22253832 0.80 GNAI3 (0.39)
SCHEMBL22249049 0.80 CYP1A2 (0.43) KDM4EALDH1A1CHRM1
SCHEMBL26297463 0.80 CYP1A2 (0.43) KDM4EALDH1A1CHRM1
SCHEMBL25530296 0.79 HRH3 (0.35) HRH3
SCHEMBL25530297 0.79 HRH3 (0.35) HRH3
SCHEMBL25530300 0.79 HRH3 (0.35) HRH3
SCHEMBL25530321 0.79 HRH3 (0.49) HRH3KCNH2CYP2D6MEN1KMT2A

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 HRH3 2165/4885KCNH2 1953/4885CYP2D6 1521/4885

“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.