Sugi Predict

Sugi Predict / Compounds / SCHEMBL1813009

SCHEMBL1813009

SCHEMBL1813009

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GRM4 Q14833 5/20 0.34
▸ GRM8 O00222 3/20 0.34
▸ GRM6 O15303 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CPB2 Q96IY4 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
SCHEMBL13415251 1.00 GRM2 (0.37) GRM2GRM5GRM1ALOX15MGAM
SCHEMBL3488482 1.00 GRM2 (0.37) GRM2GRM5GRM1ALOX15MGAM
SCHEMBL584621 1.00 GRM2 (0.37) GRM2GRM5GRM1ALOX15MGAM
SCHEMBL3488483 1.00 GRM2 (0.37) GRM2GRM5GRM1ALOX15MGAM
Hydrochloric Acid SCHEMBL584620 0.98 GRM2 (0.36) GRM2GRM5GRM1ALOX15MGAM
SCHEMBL3238992 0.82 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL10272013 0.82 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL14647478 0.82 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL13757663 0.82 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL2744927 0.82 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-18 — — US disclosed
EP-2496556-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-12 — — EP disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 — — US disclosed
WO-2011053948-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-05-05 — — WO disclosed
US-20110082182-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2011-04-07 — — US disclosed
US-20110082182-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2011-04-07 — — 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 (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-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 GRM2 570/4885GRM5 1145/4885GRM1 1093/4885
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF GRM2 4742/4885GRM5 4712/4885GRM1 4585/4885
US-20110082182-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS GRM2 4451/4885GRM5 4544/4885GRM1 4148/4885

“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.