SCHEMBL1308680

SCHEMBL1308680

CCOC(=O)C12CCC(NC(=O)OCc3ccccc3)(CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 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
SCHEMBL1305698 0.90 CHRM1 (0.50) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL9952383 0.88 CTSB (0.44) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL3931521 0.88 CTSS (0.47) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL1305844 0.85 CTSL (0.48) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL1305754 0.85 SYK (0.46) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL2913795 0.83 CTSS (0.55) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL29761493 0.83 CTSL (0.49) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL3941493 0.83 TSHR (0.47) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL3931249 0.82 CTSL (0.48) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL2823474 0.82 CTSB (0.46) CTSLCTSBCTSSNPC1RAB9A

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
EP-1712547-B1 BICYCLOESTER DERIVATIVE KYORIN SEIYAKU KK (JP) 2011-12-14 EP disclosed
US-8053465-B2 Bicycloester derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-08 US disclosed
US-7754757-B2 Bicycloester derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20100093825-A1 Bicycloester derivative FUKUDA YASUMICHI 2010-04-15 US disclosed
US-7560569-B2 (2S,4S)-1-[[(4-carbamoylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile, for treating type II diabetes; increase glucagon-like peptide activity KYORIN PHARMACEUTICAL CO., LTD (JP) 2009-07-14 US disclosed
US-20080146818-A1 Dipeptidylpeptidase IV (DPP-IV) inhibitory activity; (2S,4S)-1-[[N-(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile)); diabetes KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-06-19 US disclosed
US-20070265320-A1 Bicycloamide Derivative KYORIN PHARMACEUTICAL CO., LTD (JP) 2007-11-15 US disclosed
EP-1717225-A1 BICYCLIC AMIDE DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2006-11-02 EP disclosed
EP-1712547-A1 BICYCLOESTER DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-10-18 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 (3 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-20070265320-A1 Bicycloamide Derivative DPP4, DPP7, DPP9 CTSL 459/4885CTSB 654/4885CTSS 849/4885
US-20100093825-A1 Bicycloester derivative DPP4, DPP7, DPP3 CTSL 499/4885CTSB 1041/4885CTSS 644/4885
US-20080146818-A1 Dipeptidylpeptidase IV (DPP-IV) inhibitory activity; (2S,4S)-1-[[N-(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile)); diabetes DPP4, DPP7, DPP3 CTSL 179/4885CTSB 392/4885CTSS 360/4885

“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.