SCHEMBL20021314

SCHEMBL20021314

CC(C)CN1CC2(CCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
PIK3CD O00329 3/20 0.36
CYP2D6 P10635 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 2/20 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
SCHEMBL21733002 0.90 MGLL (0.40) MGLLPIK3CDCYP2D6SMN1; SMN2TSHR
SCHEMBL26240876 0.88 MGLL (0.39) MGLLPIK3CDCYP2D6SMN1; SMN2TSHR
SCHEMBL24841890 0.86 MGLL (0.52) MGLLPIK3CDCYP2D6SMN1; SMN2TSHR
SCHEMBL27281798 0.86 MGLL (0.52) MGLLPIK3CDCYP2D6SMN1; SMN2TSHR
SCHEMBL27281807 0.86 MGLL (0.52) MGLLPIK3CDCYP2D6SMN1; SMN2TSHR
SCHEMBL27281819 0.82 MGLL (0.56) MGLLPIK3CDCYP2D6SMN1; SMN2TSHR
SCHEMBL27283086 0.79 MGLL (0.53) MGLLPIK3CDCYP2D6SMN1; SMN2TSHR
SCHEMBL22856397 0.79 MGLL (0.56) MGLLPIK3CDCYP2D6SMN1; SMN2CYP1A2
SCHEMBL26240870 0.79 MGLL (0.53) MGLLPIK3CDCYP2D6SMN1; SMN2TSHR
SCHEMBL22853942 0.77 MGLL (0.35) MGLLPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 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-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY HSF1, HSP90AB1, HSP90AB2P MGLL 4797/4885PIK3CD 1262/4885CYP2D6 3210/4885

“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.