SCHEMBL23719152

SCHEMBL23719152

CC(S)N1CCCC2(CCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.37
CYP2D6 P10635 8/20 0.37
USP2 O75604 8/20 0.37
CYP1A2 P05177 5/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 6/20 0.36
CYP2C9 P11712 6/20 0.36
CYP2C19 P33261 5/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 1/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL19440378 0.87 CYP2D6 (0.33) CYP3A4CYP2D6USP2CYP1A2TP53
SCHEMBL24221058 0.84
SCHEMBL10168682 0.82 USP2 (0.39) CYP3A4CYP2D6USP2CYP1A2TP53
SCHEMBL21778699 0.82
SCHEMBL10168613 0.80 CYP3A4 (0.38) CYP3A4CYP2D6USP2CYP1A2TP53
SCHEMBL23126209 0.79 USP2 (0.41) CYP3A4CYP2D6USP2CYP1A2TSHR
SCHEMBL12911788 0.77 CYP2D6 (0.39) CYP3A4CYP2D6USP2CYP1A2TP53
SCHEMBL9963381 0.77 CYP2D6 (0.39) CYP3A4CYP2D6USP2CYP1A2TP53
SCHEMBL20962686 0.77
SCHEMBL20962702 0.76 USP2 (0.46) CYP3A4CYP2D6USP2CYP1A2TSHR

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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CYP3A4 4780/4885CYP2D6 4347/4885USP2 2289/4885

“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.