SCHEMBL25112258

SCHEMBL25112258

CO/C(C)=c1\c(C(=O)C(=O)N2CC3CN(C(=O)C4=CCCCC4)CC3C2)c[nH]\c1=C\N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL25112010 0.73 CYP2C9 (0.39) CYP2D6ALDH1A1
SCHEMBL22783579 0.72 CYP2C9 (0.47) CYP2D6ALDH1A1
SCHEMBL24533356 0.72 CYP2C9 (0.46) CYP2D6ALDH1A1
SCHEMBL17953054 0.67 CYP3A4 (0.61) CYP2D6ALDH1A1
SCHEMBL16618521 0.67 CYP3A4 (0.61) CYP2D6ALDH1A1
SCHEMBL22783548 0.66 CYP3A4 (0.48) CYP2D6
SCHEMBL25112185 0.66 CYP3A4 (0.48) CYP2D6
SCHEMBL17953051 0.64 CHRNA4 (0.50)
SCHEMBL17953052 0.63 NR1H2 (0.45)
SCHEMBL1463716 0.60 CHRNA4 (0.51)

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-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 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-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS FCGR3B, FCGR1A, FCGR2A CYP2D6 1815/4885ALDH1A1 4753/4885

“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.