SCHEMBL4154644

SCHEMBL4154644

CN(C(=O)OC(C)(C)C)c1ncco1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.35
FAAH O00519 1/20 0.35
SSTR4 P31391 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
USP30 Q70CQ3 2/20 0.32
AAK1 Q2M2I8 1/20 0.31
BRD4 O60885 1/20 0.31
ATR Q13535 1/20 0.31
KAT6A Q92794 1/20 0.30
KAT5 Q92993 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30

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
SCHEMBL28337730 0.83 FAAH (0.34) FAAHSSTR4ALDH1A1TRPM8USP30
SCHEMBL14084500 0.78 POLB (0.35) TRPM8
SCHEMBL29245714 0.78 TRPM8 (0.37) FAAHSSTR4TRPM8
SCHEMBL30366914 0.77 TRPM8 (0.36) FAAHSSTR4TRPM8ATR
SCHEMBL16486761 0.76 USP30 (0.37) FAAHSSTR4USP30AAK1
SCHEMBL16486759 0.76 USP30 (0.37) FAAHSSTR4USP30AAK1
SCHEMBL11967752 0.75 ELANE (0.38) FAAHALDH1A1TRPM8
SCHEMBL28885178 0.75 SMN1; SMN2 (0.41) FAAHALDH1A1TRPM8
SCHEMBL18969621 0.74 EDNRA (0.37) FAAHTRPM8
SCHEMBL28350803 0.73 SSTR4 (0.39) FAAHSSTR4USP30ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B PAX8 2903/4885FAAH 4226/4885SSTR4 2754/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PAX8 2782/4885FAAH 4089/4885SSTR4 3179/4885

“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.