SCHEMBL25530993

SCHEMBL25530993

CC1CCCN(CC2(c3ccc(C(C)(C)C)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
SLC6A3 Q01959 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 7/20 0.41
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
F10 P00742 2/20 0.37
F2 P00734 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL12449602 0.76 SIGMAR1 (0.51) SIGMAR1SLC6A3MEN1KMT2ASLC6A2
SCHEMBL798027 0.69 HRH3 (0.69) SIGMAR1MEN1KMT2AHRH3LMNA
SCHEMBL8352677 0.69 SLC6A2 (0.51) SIGMAR1SLC6A3HRH3SLC6A2SLC6A4
SCHEMBL5645130 0.66 SLC6A2 (0.51) SIGMAR1SLC6A3SLC6A2SLC6A4F10
SCHEMBL5827078 0.66 SLC6A4 (0.59) SLC6A3SLC6A2SLC6A4F10F2
SCHEMBL5877395 0.65 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4MAOB
SCHEMBL10878264 0.65 LMNA (0.41) SLC6A3SLC6A2SLC6A4LMNA
Ammonia Solution, Strong SCHEMBL5827077 0.64 SLC6A4 (0.58) SLC6A3SLC6A2SLC6A4F10F2
SCHEMBL8351046 0.64 SLC6A2 (0.58) SLC6A3MEN1KMT2AHRH3SLC6A2
SCHEMBL797735 0.64 SIGMAR1 (0.60) SIGMAR1MEN1KMT2AHRH3

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 1380/4885SLC6A3 2550/4885MEN1 4216/4885

“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.