SCHEMBL20133191

SCHEMBL20133191

Cn1c2ccncc2c2ccc(-c3ccc(O[C@H]4C[C@H](Oc5cccc(OO)n5)C4)nc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.36
ATM Q13315 4/20 0.35
ATR Q13535 2/20 0.35
TDO2 P48775 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
DGAT1 O75907 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
SCHEMBL20129051 0.87 FAAH (0.37) FAAHATMATRKCNH2PIK3CA
SCHEMBL29547432 0.86 TDO2 (0.38) FAAHATMATRTDO2NPC1
SCHEMBL20120825 0.86 TDO2 (0.38) FAAHATMATRTDO2NPC1
SCHEMBL20129152 0.86 TDO2 (0.38) FAAHATMATRTDO2NPC1
SCHEMBL20120826 0.86 TDO2 (0.38) FAAHATMATRTDO2NPC1
SCHEMBL29547413 0.84 DGAT1 (0.44) FAAHATMATRTDO2NPC1
SCHEMBL20120468 0.84 DGAT1 (0.44) FAAHATMATRTDO2NPC1
SCHEMBL20120471 0.84 DGAT1 (0.44) FAAHATMATRTDO2NPC1
SCHEMBL20120436 0.84 TDO2 (0.37) FAAHATMATRTDO2NPC1
SCHEMBL29547266 0.84 TDO2 (0.37) FAAHATMATRTDO2NPC1

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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 FAAH 4290/4885ATM 959/4885ATR 1538/4885

“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.