SCHEMBL25759060

SCHEMBL25759060

CCC(C)N1CCN(CC2CCC(O)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
SHBG P04278 1/20 0.36
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
IDH1 O75874 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL18713117 0.91 KDM4E (0.40) KDM4EALDH1A1TDP1OPRM1OPRD1
SCHEMBL24723848 0.83 CHRM5 (0.53) KDM4EALDH1A1TDP1OPRM1CHRM5
SCHEMBL21158999 0.80 KDM4E (0.36) KDM4EALDH1A1TDP1CHRM5ADRA2C
SCHEMBL25501874 0.79 HRH3 (0.38) KDM4EALDH1A1TDP1OPRM1CHRM5
SCHEMBL23114309 0.78 SHBG (0.41) KDM4ESHBGHRH3
SCHEMBL23467566 0.78 SHBG (0.41) KDM4ESHBGHRH3
SCHEMBL6628149 0.78 SHBG (0.41) KDM4ESHBGHRH3
SCHEMBL20006824 0.77 ACHE (0.40) OPRD1SHBGCHRM5ADRA2CACHE
SCHEMBL20962677 0.75 OPRM1 (0.34) KDM4EALDH1A1TDP1OPRM1OPRD1
SCHEMBL20349569 0.75 KDM4E (0.34) KDM4EALDH1A1TDP1

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-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2023-07-06 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-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS SLC6A2, SLC6A3, SLC6A4 KDM4E 2097/4885ALDH1A1 1394/4885TDP1 2247/4885

“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.