SCHEMBL16197142

SCHEMBL16197142

CC(C)(C)OC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
THRB P10828 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 3/20 0.54
PDK2 Q15119 1/20 0.48
HDAC4 P56524 3/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.43
GPR119 Q8TDV5 4/20 0.43
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HPGD P15428 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
STS P08842 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL27034337 0.87 PDK2 (0.42) SMN1; SMN2THRBGAAMAPTPDK2
SCHEMBL16399632 0.87 SMN1; SMN2 (0.61) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL314695 0.83 SMN1; SMN2 (0.58) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL10189882 0.82 SMN1; SMN2 (0.58) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL19899477 0.82 SMN1; SMN2 (0.57) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL8283578 0.82 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAMAPTPDK2
SCHEMBL25124309 0.81 SMN1; SMN2 (0.54) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL10189881 0.81 SMN1; SMN2 (0.52) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL9965924 0.80 NR1H2 (0.40) SMN1; SMN2THRBGAAMAPTHDAC4
SCHEMBL1970981 0.80 SMN1; SMN2 (0.67) SMN1; SMN2THRBGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023055178-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2023-04-06 WO disclosed
US-9663495-B2 Triazolone derivatives or salts thereof and pharmaceutical composition comprising the same YUHAN CORPORATION (KR) 2017-05-30 US disclosed
US-9663495-B2 Triazolone derivatives or salts thereof and pharmaceutical composition comprising the same YUHAN CORPORATION (KR) 2017-05-30 US disclosed
US-9663495-B2 Triazolone derivatives or salts thereof and pharmaceutical composition comprising the same YUHAN CORPORATION (KR) 2017-05-30 US disclosed
US-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2016-03-10 US disclosed
US-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2016-03-10 US disclosed
US-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2016-03-10 US disclosed
EP-2989093-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Yuhan Corporation (KR) 2016-03-02 EP disclosed
WO-2014175621-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2014-10-30 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 (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-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GPR119, GPR88, GCGR SMN1; SMN2 4157/4885THRB 445/4885GAA 2016/4885

“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.