SCHEMBL6798706

SCHEMBL6798706

COC(=O)N1C[C@@H]2CCC(=O)C[C@H]2C[C@H]1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MMP2 P08253 4/20 0.33
ANPEP P15144 3/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL3301765 1.00 TSHR (0.36) TSHRMMP2ANPEPATMMEN1
SCHEMBL8983770 1.00 TSHR (0.36) TSHRMMP2ANPEPATMMEN1
SCHEMBL3307394 1.00 TSHR (0.36) TSHRMMP2ANPEPATMMEN1
SCHEMBL8866598 0.90 MMP2 (0.39) TSHRMMP2ANPEP
SCHEMBL8867224 0.90 MMP2 (0.39) TSHRMMP2ANPEP
SCHEMBL13390232 0.89 TSHR (0.36) TSHRMMP2ANPEPTHRB
SCHEMBL3304315 0.87 HSD17B10 (0.38)
SCHEMBL3301971 0.87 HSD17B10 (0.38)
SCHEMBL6607994 0.86 AGTR2 (0.35) TSHRMEN1KMT2A
SCHEMBL25475425 0.84 ALDH1A1 (0.32) TSHRMMP2ANPEPKMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082606-A1 Excitatory amino acid receptor antagonists KHAU VIEN VAN (US) 2004-04-29 US disclosed
EP-1351955-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
US-6579886-B2 Ionotropic glutamate receptors; 6-((4-carboxylic acid-1H-imidazol-1-yl)methyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3 -carboxylic acid ELI LILLY AND COMPANY 2003-06-17 US disclosed
US-20030055081-A1 Selective iglur5 receptor antagonists ELI LILLY AND COMPANY 2003-03-20 US disclosed
EP-1257545-A1 SELECTIVE iGLUR 5? RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-11-20 EP disclosed
WO-2002053561-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-07-11 WO disclosed
WO-2001046173-A1 SELECTIVE iGLUR5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-06-28 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-20040082606-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, SLC1A3 TSHR 375/4885MMP2 4225/4885ANPEP 610/4885
US-20030055081-A1 Selective iglur5 receptor antagonists GRM5, GRIK5, GPR35 TSHR 836/4885MMP2 4540/4885ANPEP 3319/4885

“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.