SCHEMBL8606869

SCHEMBL8606869

CC(C)(C)OC(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPFFR1 Q9GZQ6 6/20 0.57
▸ NPFFR2 Q9Y5X5 6/20 0.57
▸ CYP2D6 P10635 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CCR8 P51685 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ OPRL1 P41146 1/20 0.44

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
SCHEMBL23120819 0.93 NPFFR1 (0.53) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL22961966 0.93 NPFFR1 (0.53) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL3958497 0.91 CYP2D6 (0.62) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL7578999 0.91 NPFFR1 (0.55) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL1997960 0.86 NPFFR1 (0.58) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL13738114 0.86 NPFFR1 (0.51) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL21431248 0.86 CYP2D6 (0.51) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL13556700 0.86 CYP2D6 (0.51) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL29862994 0.86 NPFFR1 (0.51) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL23268296 0.84 NPFFR1 (0.56) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 — — US disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 — — WO disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 — — US disclosed
WO-1999065881-A1 HETEROCYCLIC COMPOUNDS AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 — — WO 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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN NPFFR1 3942/4885NPFFR2 4268/4885CYP2D6 285/4885
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES ABCB11, SQLE, FURIN NPFFR1 3942/4885NPFFR2 4268/4885CYP2D6 285/4885

“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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