SCHEMBL23902245

SCHEMBL23902245

CC[C@@H](NC(C)C)C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
EPHX1 P07099 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13070487 0.95 SHBG (0.46) SHBGEPHX1TDP1
SCHEMBL19299744 0.93 SHBG (0.50) SHBGEPHX1
SCHEMBL23902127 0.81 MMP1 (0.33) SHBGTDP1
SCHEMBL23902100 0.81 MMP1 (0.33) SHBGTDP1
SCHEMBL23902077 0.81 MMP1 (0.33) SHBGTDP1
SCHEMBL24351545 0.78
SCHEMBL23902069 0.77 ALDH1A1 (0.34)
SCHEMBL23902072 0.77 ALDH1A1 (0.34)
SCHEMBL23902110 0.77 ALDH1A1 (0.34)
SCHEMBL13464009 0.77 SHBG (0.43) SHBGEPHX1

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 SHBG 4671/4885EPHX1 4427/4885TDP1 3307/4885

“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.