SCHEMBL3514059

SCHEMBL3514059

C=CC[C@@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
CTSK P43235 1/20 0.35
CD274 Q9NZQ7 1/20 0.33
JAK3 P52333 2/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL7258557 1.00 GRIN2B (0.37) GRIN2BGRIN2CCTSKCD274JAK3
SCHEMBL7264298 1.00 GRIN2B (0.37) GRIN2BGRIN2CCTSKCD274JAK3
SCHEMBL5135426 0.87 GRIN2B (0.38) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL1949227 0.87 GRIN2B (0.35) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL14282561 0.87 GRIN2B (0.35) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL14282367 0.84 GRIN2B (0.33) GRIN2BGRIN2CCTSKJAK3
SCHEMBL4569940 0.84 GRIN2B (0.38) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL19614453 0.83 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL15924562 0.83 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL19614479 0.83 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3USP2

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-121021362-A Synthesis method of (R) -N-tert-butoxycarbonyl-alpha-allylproline 四川同晟生物医药有限公司 2025-11-28 CN disclosed
CN-121021362-A Synthesis method of (R) -N-tert-butoxycarbonyl-alpha-allylproline 四川同晟生物医药有限公司 2025-11-28 CN disclosed
WO-2013148537-A1 SUBSTITUTED SPIROBICYCLIC COMPOUNDS AND METHODS OF USE XI NING (US) 2013-10-03 WO disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-04 US disclosed
US-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-04 US disclosed
EP-1294747-B1 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR SA (ES) 2008-04-30 EP disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
EP-1332134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-08-06 EP disclosed
WO-2002060868-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-08-08 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 (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-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS GRIN2B 2925/4885GRIN2C 3786/4885CTSK 3079/4885
US-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 GRIN2B 71/4885GRIN2C 51/4885CTSK 1195/4885
US-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 GRIN2B 2563/4885GRIN2C 3043/4885CTSK 4488/4885

“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.