SCHEMBL25530962

SCHEMBL25530962

C[C@H]1CCCN(CCc2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.58
HRH3 Q9Y5N1 10/20 0.55
MAOB P27338 2/20 0.51
HSD11B1 P28845 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL25530960 0.91 SIGMAR1 (0.69) SIGMAR1HRH3HSD11B1
SCHEMBL25530959 0.91 SIGMAR1 (0.69) SIGMAR1HRH3HSD11B1
SCHEMBL25531172 0.89 SIGMAR1 (0.74) SIGMAR1HRH3
SCHEMBL25530974 0.89 SIGMAR1 (0.74) SIGMAR1HRH3
SCHEMBL25531174 0.85 HRH3 (0.51) SIGMAR1HRH3MAOB
SCHEMBL25531176 0.85 HRH3 (0.51) SIGMAR1HRH3MAOB
SCHEMBL25530967 0.85 SIGMAR1 (0.61) SIGMAR1HRH3MAOBHSD11B1
SCHEMBL25531016 0.84 SIGMAR1 (0.54) SIGMAR1HRH3HSD11B1KDM4E
SCHEMBL25541607 0.84 SIGMAR1 (0.54) SIGMAR1HRH3HSD11B1KDM4E
SCHEMBL25530979 0.83 SIGMAR1 (0.52) SIGMAR1HRH3HSD11B1

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 SIGMAR1 1380/4885HRH3 2165/4885MAOB 1555/4885

“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.