SCHEMBL25530201

SCHEMBL25530201

COC(=O)C1CN(C(C)C)CCN1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
FKBP1A P62942 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PEPD P12955 3/20 0.32
SIGMAR1 Q99720 1/20 0.31
XPNPEP1 Q9NQW7 1/20 0.30
SLC6A5 Q9Y345 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
SCHEMBL25530203 1.00 HRH3 (0.38) HRH3CYP2D6KCNH2FKBP1AMMP2
SCHEMBL25530199 1.00 HRH3 (0.38) HRH3CYP2D6KCNH2FKBP1AMMP2
SCHEMBL24352600 0.82 HRH3 (0.38) HRH3CYP2D6KCNH2SIGMAR1
SCHEMBL25530195 0.82 HRH3 (0.38) HRH3CYP2D6KCNH2SIGMAR1
SCHEMBL25530196 0.82 HRH3 (0.38) HRH3CYP2D6KCNH2SIGMAR1
SCHEMBL17886939 0.81 HRH3 (0.36) HRH3CYP2D6KCNH2SIGMAR1
SCHEMBL21795002 0.79 MMP2 (0.36) HRH3CYP2D6KCNH2MMP2ANPEP
SCHEMBL24448611 0.79 MMP2 (0.36) HRH3CYP2D6KCNH2MMP2ANPEP
SCHEMBL20314931 0.79 MMP2 (0.36) HRH3CYP2D6KCNH2MMP2ANPEP
SCHEMBL25533061 0.79 MMP2 (0.36) HRH3CYP2D6KCNH2MMP2ANPEP

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-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
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 2165/4885CYP2D6 1521/4885KCNH2 1953/4885

“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.