SCHEMBL855649

SCHEMBL855649

[CH2]C(c1ccccc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.53
ALDH1A1 P00352 4/20 0.50
GRM5 P41594 1/20 0.49
CYP3A4 P08684 4/20 0.46
CYP2C19 P33261 3/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL5000351 1.00 KCNA5 (0.53) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL17240260 0.85 LMNA (0.49) KCNA5ALDH1A1GRM5TSHRLMNA
SCHEMBL945419 0.81 CYP2D6 (0.61) KCNA5ALDH1A1CYP3A4CYP2C19TSHR
SCHEMBL27605579 0.81 CYP3A4 (0.55) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL5114145 0.81 ALDH1A1 (0.44) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL9537642 0.81 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP2D6
SCHEMBL9869445 0.81 ACHE (0.53) ALDH1A1GRM5CYP3A4CYP2C19TSHR
SCHEMBL949225 0.79 CYP1A2 (0.63) KCNA5ALDH1A1CYP3A4CYP2C19TSHR
SCHEMBL4610816 0.79 GRM5 (0.71) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL2793637 0.79 ALDH1A1 (0.67) KCNA5ALDH1A1GRM5CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414168-B Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2014-05-21 CN claimed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US claimed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP claimed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US claimed
CN-102414168-A Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN claimed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP claimed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO claimed
EP-2674160-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-10-28 EP disclosed
US-9012449-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-04-21 US disclosed
US-8940760-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-01-27 US disclosed
CN-102414168-B Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2014-05-21 CN disclosed
EP-2674160-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2013-12-18 EP disclosed
US-20130296362-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2013-11-07 US disclosed
EP-2166008-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYO TEX SA (CH) 2010-03-24 EP disclosed
EP-2165707-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYO TEX SA (CH) 2010-03-24 EP disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
CN-1976922-A 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 2007-06-06 CN disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 KCNA5 2962/4885ALDH1A1 1293/4885GRM5 608/4885
US-20130296362-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB KCNA5 2355/4885ALDH1A1 230/4885GRM5 1468/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 KCNA5 480/4885ALDH1A1 381/4885GRM5 194/4885

“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.