SCHEMBL25530985

SCHEMBL25530985

CCC1CCCN(CCc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
HRH3 Q9Y5N1 2/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
HRH1 P35367 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCR3 P51677 1/20 0.44

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
SCHEMBL25530952 0.94 SIGMAR1 (0.61) SIGMAR1HRH3KCNH2CACNA1IHRH1
SCHEMBL25530979 0.89 SIGMAR1 (0.52) SIGMAR1HRH3
SCHEMBL25530963 0.89 SIGMAR1 (0.52) SIGMAR1HRH3
SCHEMBL25530977 0.89 SIGMAR1 (0.52) SIGMAR1HRH3
SCHEMBL25530981 0.89 SIGMAR1 (0.56) SIGMAR1HRH3KCNH2CACNA1IL3MBTL1
SCHEMBL25531154 0.86 SIGMAR1 (0.55) SIGMAR1HRH3KCNH2CACNA1IHRH1
SCHEMBL23366631 0.86 SIGMAR1 (0.74) SIGMAR1HRH3KCNH2CACNA1IHRH1
SCHEMBL25531172 0.83 SIGMAR1 (0.74) SIGMAR1HRH3L3MBTL1
SCHEMBL25530974 0.83 SIGMAR1 (0.74) SIGMAR1HRH3L3MBTL1
SCHEMBL12666612 0.82 SIGMAR1 (0.78) SIGMAR1HRH3L3MBTL1

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 SIGMAR1 1380/4885HRH3 2165/4885KCNH2 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.