SCHEMBL4508853

SCHEMBL4508853

CN1CCN(CCCOc2ccc(N)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.56
▸ AXL P30530 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ ABCB1 P08183 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
SCHEMBL12005829 0.93 TLR7 (0.49) TLR7AXLALDH1A1USP2HPGD
SCHEMBL14568590 0.87 KDM4E (0.56) AXLALDH1A1KDM4EHRH3MEN1
SCHEMBL13855803 0.84 ALDH1A1 (0.53) TLR7ALDH1A1USP2HPGDKDM4E
SCHEMBL14320610 0.84 KDM4E (0.52) ALDH1A1KDM4EHRH3DRD3MEN1
SCHEMBL12448364 0.83 KDM4E (0.51) AXLKDM4EHRH3DRD3ABCB1
SCHEMBL30764769 0.83 EHMT2 (0.50) AXLKDM4EHRH3DRD3MEN1
SCHEMBL5103081 0.83 EHMT2 (0.50) AXLKDM4EHRH3DRD3MEN1
SCHEMBL1025313 0.81 LTA4H (0.61) AXLALDH1A1KDM4EMEN1KMT2A
SCHEMBL3428960 0.80 ALDH1A1 (0.49) TLR7ALDH1A1USP2HPGDKDM4E
SCHEMBL3442370 0.80 LTA4H (0.60) AXLALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 — — US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 — — EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 — — US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 — — 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 (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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 TLR7 1674/4885AXL 2557/4885ALDH1A1 1306/4885

“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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