SCHEMBL20760334

SCHEMBL20760334

CC(C)C1CC2CN(S(C)(=O)=O)CC2C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
HCRTR2 O43614 1/20 0.34
PAX8 Q06710 1/20 0.33
JAK1 P23458 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8077317 0.84 TSHR (0.37) TSHRHCRTR2PAX8CYP2D6SMN1; SMN2
SCHEMBL20620962 0.83 CA1 (0.31)
SCHEMBL22200880 0.75 KDM4E (0.39) TSHRPAX8JAK1MEN1KMT2A
SCHEMBL10217000 0.74 ALDH1A1 (0.47) CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL22870070 0.73 TP53 (0.34) TSHRPAX8JAK1SMN1; SMN2
SCHEMBL22870065 0.73 TP53 (0.34) TSHRPAX8JAK1SMN1; SMN2
SCHEMBL10232851 0.72 TSHR (0.44) TSHRHCRTR2CYP2D6SMN1; SMN2MEN1
SCHEMBL12384515 0.72 TSHR (0.44) TSHRHCRTR2CYP2D6SMN1; SMN2MEN1
SCHEMBL13368879 0.72 TSHR (0.44) TSHRHCRTR2CYP2D6SMN1; SMN2MEN1
SCHEMBL23784262 0.72 OPRL1 (0.32)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-10654828-B2 Indole derivatives and uses thereof NOVARTIS AG (CH) 2020-05-19 US disclosed
US-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-02-21 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 (3 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-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 TSHR 2373/4885HCRTR2 1040/4885PAX8 3250/4885
US-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF MYLK2, MYOF, MUSK TSHR 2411/4885HCRTR2 2831/4885PAX8 451/4885
US-10654828-B2 Indole derivatives and uses thereof MYLK2, MYOF, MUSK TSHR 2411/4885HCRTR2 2831/4885PAX8 451/4885

“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.