SCHEMBL3629790

SCHEMBL3629790

O=C(/C=C/C=C/c1cccnc1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 16/20 0.71
▸ DRD2 P14416 15/20 0.71
▸ ALOX5 P09917 1/20 0.69
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ NAMPT P43490 1/20 0.49
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR2A P28223 1/20 0.46

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
SCHEMBL3629793 1.00 DRD3 (0.71) DRD3DRD2ALOX5CYP3A4CYP2C9
SCHEMBL9834399 0.94 DRD2 (0.81) DRD3DRD2ALOX5CYP3A4CYP2C9
SCHEMBL9834402 0.94 DRD2 (0.81) DRD3DRD2ALOX5CYP3A4CYP2C9
SCHEMBL3459029 0.93 DRD2 (0.80) DRD3DRD2ALOX5CYP3A4CYP2C9
SCHEMBL3622481 0.93 DRD2 (0.80) DRD3DRD2ALOX5CYP3A4CYP2C9
SCHEMBL3626054 0.93 DRD2 (0.80) DRD3DRD2ALOX5CYP3A4CYP2C9
SCHEMBL3458485 0.93 DRD2 (0.80) DRD3DRD2ALOX5CYP3A4CYP2C9
SCHEMBL83539 0.89 DRD2 (0.73) DRD3DRD2ALOX5CYP3A4CYP2C9
SCHEMBL82102 0.89 DRD3 (0.73) DRD3DRD2ALOX5CYP3A4CYP2C9
SCHEMBL82101 0.89 DRD3 (0.73) DRD3DRD2ALOX5CYP3A4CYP2C9

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
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 — — EP claimed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 — — EP claimed
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis ASTELLAS DEUTSCHLAND GMBH (DE) 2006-03-09 — — US claimed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 — — EP claimed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 — — EP disclosed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 — — EP disclosed
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis ASTELLAS DEUTSCHLAND GMBH (DE) 2006-03-09 — — US disclosed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 — — 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 (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-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis FLT1, VEGFA, FLT4 DRD3 4622/4885DRD2 4246/4885ALOX5 353/4885

“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.

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