SCHEMBL4458704

SCHEMBL4458704

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
ANPEP P15144 2/20 0.46
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
FKBP1A P62942 2/20 0.38
NR1H2 P55055 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTRA1 Q92743 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
SCHEMBL3068204 1.00 MMP2 (0.46) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL29689646 1.00 MMP2 (0.46) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL8283537 1.00 MMP2 (0.46) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL16350377 1.00 MMP2 (0.46) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL29689527 0.88 FKBP1A (0.42) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL22602098 0.88 FKBP1A (0.42) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL29214257 0.88 FKBP1A (0.42) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL2202494 0.87 POLB (0.50) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL116396 0.87 POLB (0.50) CYP1A2POLBCYP3A4CYP2C19FKBP1A
SCHEMBL3041685 0.87 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021249417-A1 HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF 赛诺哈勃药业(成都)有限公司 2021-12-16 WO disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US disclosed
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US disclosed
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US disclosed
CN-100396666-C (4S)-1-tert butoxy carbonyl-4-amino-L-ethyl prolinate and its synthesis technology UNIV ZHENGZHOU (CN) 2008-06-25 CN disclosed
CN-1785974-A (4S)-1-tert butoxy carbonyl-4-amino-L-ethyl prolinate and its synthesis technology UNIV ZHENGZHOU (CN) 2006-06-14 CN disclosed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO disclosed
US-20050165065-A1 N-type calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2005-07-28 US 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-20050165065-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1D MMP2 4685/4885ANPEP 1250/4885CYP1A2 3881/4885

“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.