SCHEMBL4964987

SCHEMBL4964987

CCOC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(Cl)c(Cl)c3)[C@@](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(C(=O)OCC)[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.44
GRM3 Q14832 5/20 0.44
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL232985 0.78 GRM2 (0.55) GRM2GRM3TSHRSMN1; SMN2
SCHEMBL14932087 0.77 TSHR (0.41) GRM2GRM3KDM4EALDH1A1TSHR
SCHEMBL232123 0.77 TSHR (0.41) GRM2GRM3KDM4EALDH1A1TSHR
SCHEMBL232984 0.76 GRM2 (0.56) GRM2GRM3TSHRSMN1; SMN2
SCHEMBL514523 0.75 GRM2 (0.70) GRM2GRM3
SCHEMBL4967909 0.75 GRM2 (0.70) GRM2GRM3
SCHEMBL4967900 0.75 GRM2 (0.70) GRM2GRM3
SCHEMBL14932135 0.74 GRM2 (0.61) GRM2GRM3
SCHEMBL230228 0.74 GRM2 (0.61) GRM2GRM3
SCHEMBL5961906 0.73 GRM2 (0.80) GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US claimed
EP-1459765-B1 6-FLUOROBICYCLO 3.1.0 HEXANE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-20 EP disclosed
US-7157594-B2 6-Fluorobicyclo[3.1.0]hexane derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20050119345-A1 6-Fluorobicyclo[3.1.0]hexane derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-06-02 US disclosed
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
EP-1459765-A1 6-FLUOROBICYCLO 3.1.0 HEXANE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2004-09-22 EP disclosed
US-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US disclosed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US disclosed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US disclosed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP disclosed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP disclosed
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 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 (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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 GRM2 1646/4885GRM3 2446/4885KDM4E 196/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 GRM2 2016/4885GRM3 2368/4885KDM4E 363/4885
US-20050119345-A1 6-Fluorobicyclo[3.1.0]hexane derivatives GRM1, GRM2, GRM6 GRM2 2/4885GRM3 4/4885KDM4E 2844/4885

“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.