SCHEMBL4813281

SCHEMBL4813281

COc1cc2c(cc1OCCN1CCCCC1)C(=O)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.60
CHRNA7 P36544 1/20 0.60
HRH3 Q9Y5N1 3/20 0.60
PDE4D Q08499 2/20 0.56

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
SCHEMBL3080318 0.94 HRH3 (0.60) ACHECHRNA7HRH3
SCHEMBL3970718 0.81 KMT2A (0.44) ACHECHRNA7
SCHEMBL3078879 0.80 ABCB1 (0.59)
SCHEMBL9322233 0.80 KMT2A (0.47) ACHE
SCHEMBL3081962 0.79 KMT2A (0.42) ACHECHRNA7
SCHEMBL29420326 0.78 KMT2A (0.56) ACHE
SCHEMBL29420327 0.78 KMT2A (0.56) ACHE
SCHEMBL354177 0.78 KMT2A (0.56) ACHE
SCHEMBL4816656 0.77 HTR7 (0.46) ACHE
SCHEMBL3965311 0.76 MAOB (0.38) ACHEHRH3

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 ACHE 4778/4885CHRNA7 4513/4885HRH3 2806/4885

“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.