SCHEMBL4989159

SCHEMBL4989159

Clc1cnc2c(ccc3cc(Cl)cnc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.52
CCR8 P51685 4/20 0.52
CCR5 P51681 3/20 0.52
NOS1 P29475 2/20 0.40
DYRK1A Q13627 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2A6 P11509 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
NR4A2 P43354 1/20 0.35

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
SCHEMBL30117375 1.00 CCR1 (0.52) CCR1CCR8CCR5NOS1DYRK1A
SCHEMBL31252050 0.87 CCR1 (0.42) CCR1CCR8CCR5NOS1DYRK1A
SCHEMBL25200994 0.85 CCR1 (0.62) CCR1CCR8CCR5LMNATSHR
SCHEMBL30505759 0.84 CCR1 (0.39) CCR1CCR8CCR5NOS1DYRK1A
SCHEMBL27840289 0.84 CCR1 (0.39) CCR1CCR8CCR5NOS1DYRK1A
SCHEMBL8589248 0.83 CCR1 (0.38) CCR1CCR8CCR5NOS1DYRK1A
SCHEMBL18572010 0.81 GUSB (0.40) CCR1CCR8CCR5TSHRGRIN2D
SCHEMBL22911133 0.81 CCR1 (0.36) CCR1CCR8CCR5NOS1DYRK1A
SCHEMBL29496149 0.81 CCR1 (0.36) CCR1CCR8CCR5NOS1DYRK1A
SCHEMBL7025162 0.81 CCR1 (0.45) CCR1CCR8CCR5NOS1DYRK1A

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-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-111718381-A Osmium metal organic compound containing polypyridine ligand and preparation method and application thereof 荆楚理工学院 2020-09-29 CN claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
CN-111518145-B Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof 荆楚理工学院 2023-06-20 CN disclosed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US disclosed
US-20230159334-A1 NITROGEN-CONTAINING CARBON MATERIAL AND METHOD FOR PRODUCING SAME NICHIA CORPORATION (JP) 2023-05-25 US disclosed
CN-115611891-A Quinoline-substituted phenanthroline compound and application thereof 烟台显华科技集团股份有限公司 2023-01-17 CN disclosed
CN-111718381-A Osmium metal organic compound containing polypyridine ligand and preparation method and application thereof 荆楚理工学院 2020-09-29 CN disclosed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN disclosed
EP-1681282-B1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE SUMITOMO CHEMICAL CO (JP) 2013-01-23 EP disclosed
US-7393971-B2 Method for producing 3,3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-01 US disclosed
US-20070078278-A1 Method for producing 3, 3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2007-04-05 US disclosed
EP-1681282-A1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE Sumitomo Chemical Company, Limited (JP) 2006-07-19 EP 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-20070078278-A1 Method for producing 3, 3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate AOC3, PDXK, AIPL1 CCR1 403/4885CCR8 2221/4885CCR5 3712/4885
US-20230159334-A1 NITROGEN-CONTAINING CARBON MATERIAL AND METHOD FOR PRODUCING SAME NPM1, NCLN, C5 CCR1 607/4885CCR8 1017/4885CCR5 2230/4885

“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.