SCHEMBL25829852

SCHEMBL25829852

CC(C)N1CCOC(CC(C)N2CCCOCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ERBB2 P04626 1/20 0.30
EPHA2 P29317 1/20 0.30
KDR P35968 1/20 0.30
EPHB4 P54760 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
SCHEMBL24700866 0.91 HRH3 (0.47) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL22893242 0.91 HRH3 (0.47) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL25834408 0.90 HRH3 (0.39) HRH3
SCHEMBL26194411 0.89 HRH3 (0.46) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL21157892 0.82 HRH3 (0.45) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL21660306 0.81 HRH3 (0.40) HRH3CCR2KCNH2
SCHEMBL18898331 0.81 HRH3 (0.40) HRH3CCR2KCNH2
SCHEMBL25872792 0.81 HRH3 (0.44) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL24256708 0.81 HRH3 (0.44) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL23920781 0.79 HRH3 (0.43) HRH3CCR2KCNH2CHRM2HTR1A

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HRH3 2080/4885MEN1 1172/4885KMT2A 4131/4885

“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.