SCHEMBL17495253

SCHEMBL17495253

CC(C)(C)OC(=O)CC(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 2/20 0.51
SYK P43405 1/20 0.51
GAA P10253 1/20 0.47
IDO1 P14902 1/20 0.47
TGM2 P21980 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
ELANE P08246 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45

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
SCHEMBL6049741 0.91 HTT (0.59) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL20703250 0.90 SYK (0.54) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL28513293 0.89 HTT (0.54) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3693228 0.87 HTT (0.61) HTTSMN1; SMN2LMNAMEN1KMT2A
Glycolic Acid SCHEMBL145941 0.86 HTT (0.58) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL127919 0.86 HTT (0.54) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL17501963 0.86 MEN1 (0.49) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16975020 0.86 HTT (0.68) HTTSMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL10431132 0.85 HTT (0.63) HTTSMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL5574078 0.85 SYK (0.57) HTTSMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180332-B1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS INC (US) 2021-10-27 EP disclosed
US-10221170-B2 Difluoropyrrolidines as orexin receptor modulators EOLAS THERAPEUTICS, INC. (US) 2019-03-05 US disclosed
US-20170226103-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2017-08-10 US disclosed
EP-3180332-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS Eolas Therapeutics Inc. (US) 2017-06-21 EP disclosed
WO-2016025669-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
WO-2016025669-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. (US) 2016-02-18 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-10221170-B2 Difluoropyrrolidines as orexin receptor modulators HCRTR2, OPRD1, HCRTR1 HTT 2056/4885SMN1; SMN2 4808/4885LMNA 3826/4885
US-20170226103-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, OPRD1, HCRTR1 HTT 2056/4885SMN1; SMN2 4808/4885LMNA 3826/4885

“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.