SCHEMBL4130871

SCHEMBL4130871

CCC1(CC)CCCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
SLC6A4 P31645 2/20 0.32
OPRK1 P41145 1/20 0.32
OPRM1 P35372 1/20 0.32
CACNA1C Q13936 1/20 0.32
HPGD P15428 1/20 0.30

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
SCHEMBL15658952 1.00 GRIN1 (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL2692225 0.98 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8624485 0.91 GRIN2D (0.36) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL6908316 0.88 GRIN2D (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4433128 0.85 GRIN2D (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL10412652 0.83 CYP2C19 (0.40) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL10727790 0.81 CYP2C19 (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL11635818 0.81 GRIN2D (0.36) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL10727800 0.81 CYP2C19 (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1617974 0.81 CYP2C19 (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
CN-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3384/4885GRIN2D 3331/4885

“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.