SCHEMBL20047631

SCHEMBL20047631

CCCCCCCC(C)(C)c1cnc2cccc(C(C)(CCCC)CCCCCC)c2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 7/20 0.36
▸ TLR8 Q9NR97 4/20 0.34
▸ CNR1 P21554 7/20 0.33
▸ CNR2 P34972 7/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL23502468 0.89 TLR7 (0.39) TLR7TLR8KDM4ENPC1ALDH1A1
SCHEMBL20047597 0.77 CNR2 (0.33) TLR8CNR1CNR2
SCHEMBL20047567 0.76 CNR2 (0.35) TLR7TLR8CNR1CNR2KDM4E
SCHEMBL20047579 0.75 CNR1 (0.31) CNR1CNR2
SCHEMBL20047581 0.74 TLR8 (0.32) TLR7TLR8CNR1CNR2KCNH2
SCHEMBL23502590 0.74 CNR2 (0.39) CNR1CNR2
SCHEMBL20047665 0.74 CNR2 (0.39) CNR1CNR2
SCHEMBL20047686 0.74 CNR2 (0.34) TLR8CNR1CNR2
SCHEMBL20047608 0.73 CNR2 (0.38) CNR1CNR2KDM4EALDH1A1MAPT
SCHEMBL25101222 0.72 TSHR (0.44) TLR7TLR8KDM4ENPC1MAPT

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
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — 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 (2 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 TLR7 491/4885TLR8 901/4885CNR1 410/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 TLR7 491/4885TLR8 901/4885CNR1 410/4885

“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.

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