SCHEMBL3676099

SCHEMBL3676099

COC1(OC)CCCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.34
GRIN2A Q12879 4/20 0.34
GRIN2B Q13224 3/20 0.34
SLC6A4 P31645 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
LMNA P02545 2/20 0.33
OPRK1 P41145 1/20 0.33
OPRM1 P35372 1/20 0.33
CACNA1C Q13936 1/20 0.33
TSHR P16473 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
SCHEMBL12499996 0.98 GRIN1 (0.33) GRIN1GRIN2AGRIN2BSLC6A4GRIN2D
SCHEMBL6282686 0.93 MAPT (0.30) TSHR
SCHEMBL7776154 0.76
SCHEMBL10888167 0.76
SCHEMBL29013944 0.76 GRIN1 (0.36) GRIN1GRIN2AGRIN2BSLC6A4GRIN2D
SCHEMBL7619912 0.76 SLC6A4 (0.30) GRIN1GRIN2AGRIN2BSLC6A4GRIN2D
SCHEMBL23168690 0.74 GRIN1 (0.33) GRIN1GRIN2AGRIN2BSLC6A4GRIN2D
SCHEMBL1627516 0.73
SCHEMBL11164661 0.70 TSHR (0.40) TSHR
SCHEMBL4605079 0.70 GRIN1 (0.38) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652172-B2 Expeditious synthesis of DPD THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-01-26 US claimed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN claimed
US-20090018368-A1 EXPEDITIOUS SYNTHESIS OF DPD THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-01-15 US claimed
WO-2006034269-A1 EXPEDITIOUS SYNTHESIS OF DPD THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2006-03-30 WO claimed
WO-2025014332-A1 TRIAZOLE COMPOUND HAVING NOVEL RING STRUCTURE, METHOD FOR PREPARING SAME, AND USE THEREOF 한국화학연구원 2025-01-16 WO disclosed
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 US disclosed
US-7652172-B2 Expeditious synthesis of DPD THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-01-26 US disclosed
WO-2009123967-A1 5,6,7,8-TETRAHYDROQUINAZOLIN-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ASTHMA ABBOTT LABORATORIES (US) 2009-10-08 WO disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN disclosed
US-20090018368-A1 EXPEDITIOUS SYNTHESIS OF DPD THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-01-15 US disclosed
WO-2006034269-A1 EXPEDITIOUS SYNTHESIS OF DPD THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2006-03-30 WO disclosed
US-5407931-A Bactericides GLAXO S.P.A. (IT) 1995-04-18 US disclosed
EP-0385336-B1 PROCESSES FOR THE PREPARATION OF PTERIN DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-06-02 EP disclosed
US-5138048-A 4-(2-OXO-CYCLOHEXYL) AZETIDINONES GLAXO S.P.A. (IT) 1992-08-11 US disclosed
US-5043446-A Subjecting ribose to acetalization, Grignard, oxidative cleavage, hydrazoning, condensing with pyridine to 1-biopterin NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-08-27 US disclosed
EP-0416952-A2 4-(1'-Oxocyclohex-2'-yl)azetidin-2-one derivatives GLAXO S.p.A. (IT) 1991-03-13 EP disclosed
EP-0416953-A2 10-(1-Hydroxyethyl)-11-oxo-1-azatricyclo[7.2.0.0.3,8]undec-2-ene-2-carboxylic acid derivatives GLAXO S.p.A. (IT) 1991-03-13 EP disclosed
EP-0385336-A2 Processes for the preparation of pterin derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 EP disclosed
US-4393215-A Cleavage of dialkoxyketoxime ALLIED CORPORATION (US) 1983-07-12 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 (2 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP GRIN1 3329/4885GRIN2A 3384/4885GRIN2B 3499/4885
US-20090018368-A1 EXPEDITIOUS SYNTHESIS OF DPD PGD, DBI, DPY30 GRIN1 3638/4885GRIN2A 4087/4885GRIN2B 4025/4885

“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.