SCHEMBL25540250

SCHEMBL25540250

CN1CCN(C(=O)C(C)(C)N)C[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
DPP4 P27487 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AGTR2 P50052 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
P2RX7 Q99572 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL25530844 0.82 GRM2 (0.35) GRM2DPP4LMNACYP2C19HSD17B10
SCHEMBL25530377 0.82 GRM2 (0.35) GRM2DPP4LMNACYP2C19HSD17B10
SCHEMBL25530380 0.82 GRM2 (0.35) GRM2DPP4LMNACYP2C19HSD17B10
SCHEMBL22254698 0.80 GRM2 (0.33) GRM2DPP4LMNACYP2C19HSD17B10
SCHEMBL22248565 0.79 CHRM1 (0.40) DPP4LMNAHSD17B10CHRM1
SCHEMBL24310950 0.79 MMP1 (0.35) GRM2AGTR2P2RX7KCNH2CHRM1
SCHEMBL27617063 0.78 AGTR2 (0.36) AGTR2P2RX7KCNH2CHRM1
SCHEMBL15451884 0.77 CYP1A2 (0.45) AGTR2P2RX7CHRM1
SCHEMBL4353389 0.75 USP2 (0.44) HSD17B10
SCHEMBL191941 0.75 USP2 (0.44) HSD17B10

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 GRM2 4612/4885DPP4 130/4885LMNA 3813/4885

“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.