SCHEMBL3238992

SCHEMBL3238992

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM4 Q14833 5/20 0.35
GRM8 O00222 3/20 0.35
GRM6 O15303 2/20 0.35
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2744927 1.00 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL14647478 1.00 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL13757663 1.00 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL2487735 1.00 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL10272013 1.00 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL16575073 1.00 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
Hydrochloric Acid SCHEMBL3238987 0.98 GRM2 (0.37) GRM2GRM5GRM1GRM4GRM8
Hydrochloric Acid SCHEMBL32674363 0.98 GRM2 (0.37) GRM2GRM5GRM1GRM4GRM8
Hydrochloric Acid SCHEMBL2487732 0.98 GRM2 (0.37) GRM2GRM5GRM1GRM4GRM8
Hydrochloric Acid SCHEMBL2744924 0.98 GRM2 (0.37) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560857-A Pyrimidopyridine compound and application thereof in medicine 广东东阳光药业有限公司 2022-05-31 CN disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
WO-2010080389-A1 HCV NS3 PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-07-15 WO disclosed
US-20100160403-A1 HCV NS3 PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-06-24 US disclosed
US-20100160403-A1 HCV NS3 PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-06-24 US disclosed
US-20100160403-A1 HCV NS3 PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-06-24 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (4 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-20100160403-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, SERPINB1 GRM2 4855/4885GRM5 4707/4885GRM1 4795/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 GRM2 4537/4885GRM5 3890/4885GRM1 4079/4885
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS GRM2 4451/4885GRM5 4544/4885GRM1 4148/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GRM2 4537/4885GRM5 3890/4885GRM1 4079/4885

“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.