SCHEMBL25540243

SCHEMBL25540243

CC(C)N1CCN(C(=O)C(C)(C)N)C(CO)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
HRH3 Q9Y5N1 2/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
TACR1 P25103 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL25872053 0.80 POLB (0.34) HRH3CYP2D6KCNH2TACR1POLB
SCHEMBL26030107 0.79 KCNH2 (0.34) DPP4HRH3CYP2D6KCNH2POLB
SCHEMBL25530347 0.79 DPP4 (0.39) DPP4POLBL3MBTL1
SCHEMBL24448652 0.78 PIK3CD (0.37) HRH3CYP2D6KCNH2TACR1POLB
SCHEMBL26546789 0.78 NR1H2 (0.41) HRH3TACR1
SCHEMBL25872056 0.78 NR1H2 (0.41) HRH3TACR1
SCHEMBL20314875 0.75 JAK3 (0.34) POLBL3MBTL1
SCHEMBL22255419 0.72 SMN1; SMN2 (0.38) DPP4HRH3CYP2D6KCNH2
SCHEMBL19888198 0.71 HTT (0.40) HRH3CYP2D6KCNH2
SCHEMBL24206781 0.71 HTT (0.40) HRH3CYP2D6KCNH2

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 DPP4 130/4885HRH3 2165/4885CYP2D6 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.