SCHEMBL6633296

SCHEMBL6633296

c1ccc(C(OC2CCN(CCCCCCOc3ccc4nncn4n3)CC2)c2ccccc2)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.93
BCHE P06276 10/20 0.52
HPGDS O60760 1/20 0.48
CHRM2 P08172 2/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD1 P21728 2/20 0.42
SLC6A2 P23975 2/20 0.42
ADRA1A P35348 2/20 0.42
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP2D6 P10635 1/20 0.42
OPRM1 P35372 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL7233408 0.93 PARP14 (0.91) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL6631974 0.93 PARP14 (0.81) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL6631979 0.93 PARP14 (0.81) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL7225813 0.89 PARP14 (0.86) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL7225810 0.89 PARP14 (0.86) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL6631009 0.83 PARP14 (0.98) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL7233388 0.82 PARP14 (1.00) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL6621938 0.82 PARP14 (0.64) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL7227564 0.81 PARP14 (0.94) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL6616803 0.81 PARP14 (0.65) PARP14BCHEHPGDSCHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610694-B1 Suppressing histamine and/or eosinophil chemotaxis; treating allergic diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-26 US claimed
EP-1120418-A1 FUSED PYRIDAZINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-01 EP claimed
US-20040254189-A1 Jnk inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-16 US disclosed
US-20040137052-A1 mixture of a drug having anti-allergy, anti-histamine, anti-inflammatory, anti-PAF (platelet-aggregating factor) or eosinophile chemotaxis inhibiting activity and an acid; dosage form; excellent in the digestive tract absorbability and stability TAKEDA CHEMICAL INDUSARIES LTD. (JP) 2004-07-15 US disclosed
EP-1426050-A1 JNK INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2004-06-09 EP disclosed
US-6610694-B1 Suppressing histamine and/or eosinophil chemotaxis; treating allergic diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-26 US disclosed
EP-1120418-A1 FUSED PYRIDAZINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-01 EP disclosed
JP-2000178277-A CONDENSED PYRIDAZINE COMPOUND, ITS PRODUCTION AND APPLICATION TAKEDA CHEM IND LTD 2000-06-27 JP 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-20040254189-A1 Jnk inhibitors AR, MAPK1, MAPK3 PARP14 1524/4885BCHE 4268/4885HPGDS 1541/4885
US-20040137052-A1 mixture of a drug having anti-allergy, anti-histamine, anti-inflammatory, anti-PAF (platelet-aggregating factor) or eosinophile chemotaxis inhibiting activity and an acid; dosage form; excellent in the digestive tract absorbability and stability PLA2G7, HRH2, PAFAH1B2 PARP14 1027/4885BCHE 747/4885HPGDS 55/4885

“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.