SCHEMBL5046253

SCHEMBL5046253

CCN(CCO)C[C@@H]1CCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.39
▸ METAP2 P50579 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ DPP4 P27487 1/20 0.31

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
SCHEMBL18497405 0.89 HRH3 (0.46) POLBL3MBTL1HRH3METAP2ALDH1A1
SCHEMBL18497373 0.89 HRH3 (0.46) POLBL3MBTL1HRH3METAP2ALDH1A1
SCHEMBL18497376 0.89 HRH3 (0.46) POLBL3MBTL1HRH3METAP2ALDH1A1
Formic Acid SCHEMBL18578982 0.84 HRH3 (0.42) POLBL3MBTL1HRH3METAP2ALDH1A1
SCHEMBL18497371 0.80 POLB (0.40) CYP1A2CYP2D6POLBL3MBTL1HRH3
SCHEMBL18497313 0.80 POLB (0.40) CYP1A2CYP2D6POLBL3MBTL1HRH3
SCHEMBL18497312 0.80 POLB (0.40) CYP1A2CYP2D6POLBL3MBTL1HRH3
SCHEMBL18497425 0.79 HRH3 (0.37) HRH3METAP2LMNA
SCHEMBL18497648 0.79 HRH3 (0.37) HRH3METAP2LMNA
SCHEMBL18497423 0.79 HRH3 (0.37) HRH3METAP2LMNA

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-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 — — US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 — — US disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 — — EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 — — 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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 CYP1A2 79/4885CYP2D6 62/4885POLB 1810/4885

“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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