SCHEMBL23901825

SCHEMBL23901825

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL23901827 1.00 LMNA (0.34) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23901829 1.00 LMNA (0.34) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23902019 0.94 LMNA (0.36) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23902027 0.94 LMNA (0.36) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23902021 0.94 LMNA (0.36) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23902069 0.88 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23902110 0.88 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23902072 0.88 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23902116 0.81 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23902127 0.79 MMP1 (0.33)

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 LMNA 2726/4885ALDH1A1 4745/4885CYP1A2 3850/4885

“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.