SCHEMBL117368

SCHEMBL117368

CCOC(=O)[C@@H]1C[C@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
FKBP1A P62942 2/20 0.39
NR1H2 P55055 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
PEPD P12955 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL8256266 1.00 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL7811172 1.00 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL16104864 1.00 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL3041685 0.89 POLB (0.50) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL9635522 0.89 POLB (0.50) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL2572678 0.89 POLB (0.50) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL116396 0.89 POLB (0.50) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL2202494 0.89 POLB (0.50) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL2682785 0.89 POLB (0.50) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL2704430 0.89 POLB (0.50) CYP1A2POLBCYP3A4CYP2C19FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
EP-2505579-B1 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof ASTRAZENECA AB (SE) 2014-11-05 EP disclosed
EP-1581487-B1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2014-06-04 EP disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 US disclosed
US-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-10 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-7651997-B2 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-01-26 US disclosed
US-20070129289-A1 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them THE TRUSEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-06-07 US disclosed
WO-2004052850-A2 METHODS AND COMPOUNDS PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO disclosed
WO-2004039367-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LIMITED (GN) 2004-05-13 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 (4 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-20070129289-A1 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them PRAP1, PTMA, DHPS CYP1A2 4305/4885POLB 2323/4885CYP3A4 4131/4885
US-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF DPP4, DPP3, DPP8 CYP1A2 1863/4885POLB 2167/4885CYP3A4 92/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 CYP1A2 272/4885POLB 455/4885CYP3A4 88/4885
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 CYP1A2 97/4885POLB 2120/4885CYP3A4 43/4885

“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.