SCHEMBL6326567

SCHEMBL6326567

COC(=O)N1CC2CCC(CO)CC2CC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
TSHR P16473 1/20 0.36
CYP3A4 P08684 5/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRIK3 Q13003 1/20 0.31
GRIK5 Q16478 1/20 0.31
MAPT P10636 2/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL7164243 0.88 PLG (0.35) NR1H2TSHRCYP3A4KDM4ECHRNB2
SCHEMBL6327750 0.88 TSHR (0.35) NR1H2TSHRCYP3A4KDM4ECHRNB2
SCHEMBL7162429 0.88 TSHR (0.35) NR1H2TSHRCYP3A4KDM4ECHRNB2
SCHEMBL7164726 0.88 TSHR (0.35) NR1H2TSHRCYP3A4KDM4ECHRNB2
SCHEMBL6328305 0.85 NR1H2 (0.36) NR1H2TSHRCYP3A4KDM4EALDH1A1
SCHEMBL6791730 0.85 NR1H2 (0.36) NR1H2TSHRCYP3A4KDM4EALDH1A1
SCHEMBL3303354 0.82 ATM (0.41) TSHRCYP3A4KDM4EATMALDH1A1
SCHEMBL3305726 0.82 ATM (0.41) TSHRCYP3A4KDM4EATMALDH1A1
SCHEMBL31216673 0.81 TSHR (0.43) NR1H2TSHRCHRNB2CHRNA4ATM
SCHEMBL6484163 0.81 TSHR (0.38) TSHRCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953805-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-11 US disclosed
US-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS FILLA SANDRA A (US) 2005-08-04 US disclosed
US-6855725-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20040082606-A1 Excitatory amino acid receptor antagonists KHAU VIEN VAN (US) 2004-04-29 US disclosed
US-20040063749-A1 Excitatory amino acid receptor antagonists BLEISCH THOMAS JOHN (US) 2004-04-01 US disclosed
EP-1351955-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
EP-1351952-A2 PYRROLIDINYLMETHYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
EP-1351951-A2 PYRROLIDINYLMETHYL- AND PIPERIDINYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
WO-2002053561-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-07-11 WO disclosed
WO-2002053556-A2 PYRROLIDINYLMETHYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-07-11 WO disclosed
WO-2002053555-A2 PYRROLIDINYLMETHYL- AND PIPERIDINYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-07-11 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 (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-20040082606-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, SLC1A3 NR1H2 1141/4885TSHR 375/4885CYP3A4 2286/4885
US-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, SLC1A3 NR1H2 863/4885TSHR 807/4885CYP3A4 3320/4885
US-20040063749-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, SLC1A3 NR1H2 890/4885TSHR 524/4885CYP3A4 2826/4885

“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.