SCHEMBL25970945

SCHEMBL25970945

CC(C)C1(C)CCc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.39
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NOTUM Q6P988 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 2/20 0.33
BACE1 P56817 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL12203616 0.74 ADRA2A (0.38) ADRA2ATSHRSIGMAR1KDM1ABACE1
SCHEMBL25966669 0.74 ADRA2A (0.38) ADRA2ATSHRSIGMAR1SMN1; SMN2KDM1A
SCHEMBL24170217 0.74 ADRA2A (0.38) ADRA2ATSHRSIGMAR1SMN1; SMN2KDM1A
SCHEMBL597727 0.74 ADRA2A (0.43) ADRA2ATSHRSIGMAR1NOTUMKDM1A
SCHEMBL21447692 0.73 BRD4 (0.38) KDM1A
SCHEMBL22152402 0.73 ALOX15 (0.38)
SCHEMBL20333881 0.73 BRD4 (0.38) KDM1A
SCHEMBL20351801 0.72 PNMT (0.38) MAOB
SCHEMBL13199764 0.71 ADRA2A (0.41) ADRA2ATSHRSIGMAR1NOTUMKDM1A
SCHEMBL20404660 0.71 KDM1A (0.42) ADRA2ATSHRSIGMAR1NOTUMKDM1A

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-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 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-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADRA2A 2107/4885TSHR 4477/4885SIGMAR1 3441/4885

“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.