SCHEMBL3458647

SCHEMBL3458647

O=C(CCc1cccnc1)NCCCCN1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.54
▸ PTAFR P25105 3/20 0.53
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ KCNH2 Q12809 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ CCR3 P51677 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALOX15 P16050 1/20 0.48

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
SCHEMBL3458409 0.85 ALDH1A1 (0.63) HTR2APTAFRCYP1A2CYP3A4KDM4E
SCHEMBL7672874 0.83 CHRNA7 (0.57) HTR2APTAFRCYP1A2CYP3A4HTR1A
SCHEMBL82729 0.82 ALDH1A1 (0.54) PTAFRCYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL6269623 0.81 KDM4E (0.46) PTAFRCYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL6271049 0.80 OPRL1 (0.46) HTR2APTAFRCYP1A2CYP3A4HTR1A
SCHEMBL3458346 0.80 DRD2 (0.54) PTAFRDRD3ALDH1A1
SCHEMBL5557428 0.80 DRD2 (0.48) PTAFRCYP1A2CYP3A4DRD3CCR3
SCHEMBL83006 0.79 ACHE (0.57) PTAFRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3458107 0.79 NAMPT (0.64) HTR2ACYP3A4KCNH2HTR1ADRD3
SCHEMBL3458104 0.79 NAMPT (0.64) HTR2ACYP3A4KCNH2HTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4599062-B2 — — 2010-12-15 — — JP claimed
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
JP-2005528361-A — — 2005-09-22 — — JP claimed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 — — EP claimed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 — — WO 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-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 — — EP disclosed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 — — WO 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 HTR2A 2225/4885PTAFR 47/4885CYP1A2 856/4885

“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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