SCHEMBL10085244

SCHEMBL10085244

CCCCOC(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
MMP2 P08253 11/20 0.38
MMP9 P14780 2/20 0.38
GBA2 Q9HCG7 1/20 0.37
ANPEP P15144 5/20 0.36
CTSK P43235 2/20 0.36
HSD11B1 P28845 2/20 0.36
CYP2C9 P11712 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7727313 0.84 BTK (0.46) BTKMMP2ANPEPCTSKHSD11B1
SCHEMBL7731684 0.84 BTK (0.46) BTKMMP2ANPEPCTSKHSD11B1
SCHEMBL7727315 0.84 BTK (0.46) BTKMMP2ANPEPCTSKHSD11B1
SCHEMBL22506037 0.80 BTK (0.49) BTKMMP2ANPEPCTSKHSD11B1
SCHEMBL27100711 0.80 MMP2 (0.56) BTKMMP2ANPEPCTSKHSD11B1
SCHEMBL22980156 0.79 MMP2 (0.47) MMP2ANPEPCTSKHSD11B1CYP2C9
SCHEMBL21520375 0.79 MMP2 (0.49) MMP2ANPEPKMT2AL3MBTL1
SCHEMBL12164621 0.79 MMP2 (0.49) MMP2ANPEPKMT2AL3MBTL1
SCHEMBL21520377 0.79 MMP2 (0.49) MMP2ANPEPKMT2AL3MBTL1
SCHEMBL8830957 0.79 MMP2 (0.49) MMP2ANPEPKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469609-B2 Synthesis of pyrrolidine compounds ZEALAND PHARMA A/S (DK) 2016-10-18 US disclosed
US-20150322007-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS ZEALAND PHARMA A/S (DK) 2015-11-12 US disclosed
US-8927590-B2 Synthesis of pyrrolidine compounds ZEALAND PHARMA A/S (DK) 2015-01-06 US disclosed
US-20130053344-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-02-28 US disclosed
EP-2468724-A1 Synthesis of pyrrolidine compounds Zealand Pharma A/S (DK) 2012-06-27 EP disclosed
US-20100249207-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS WYETH LLC (US) 2010-09-30 US disclosed
US-20080188545-A1 (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid hydrochloride monohydrate; cardiovascular disease; osteoporosis; inflammation of airway epithelium; disorders of alveolar tissue; bladder incontinence; impaired hearing; endothelial lesions ZEALAND PHARMA A/S (DK) 2008-08-07 US disclosed
WO-2008079266-A2 SYNTHESIS OF PYRROLIDINE COMPOUNDS WYETH (US) 2008-07-03 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-20130053344-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS CPS1, DHPS, DDC BTK 4609/4885MMP2 3894/4885MMP9 4651/4885
US-20150322007-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS CPS1, DHPS, DDC BTK 4609/4885MMP2 3894/4885MMP9 4651/4885
US-20080188545-A1 (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid hydrochloride monohydrate; cardiovascular disease; osteoporosis; inflammation of airway epithelium; disorders of alveolar tissue; bladder incontinence; impaired hearing; endothelial lesions GLS, COL2A1, MYOC BTK 4649/4885MMP2 970/4885MMP9 986/4885
US-20100249207-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS CPS1, DHPS, DDC BTK 4609/4885MMP2 3894/4885MMP9 4651/4885

“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.