SCHEMBL3319033

SCHEMBL3319033

COc1cc(OCC2CCCN2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.46
▸ F2RL3 Q96RI0 2/20 0.44
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40

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
SCHEMBL3319038 1.00 ALOX5AP (0.46) ALOX5APF2RL3CHRNB4CHRNA3GPR119
SCHEMBL3315725 0.84 ALOX5AP (0.47) ALOX5APF2RL3CHRNB4CHRNA3GPR119
SCHEMBL3315730 0.84 ALOX5AP (0.47) ALOX5APF2RL3CHRNB4CHRNA3GPR119
SCHEMBL6184282 0.83 CHRNB4 (0.48) ALOX5APCHRNB4CHRNA3GPR119LMNA
SCHEMBL6191591 0.83 CHRNB4 (0.48) ALOX5APCHRNB4CHRNA3GPR119LMNA
SCHEMBL4476967 0.82 CHRNB4 (0.67) ALOX5APCHRNB4CHRNA3FEN1
SCHEMBL4476971 0.82 CHRNB4 (0.67) ALOX5APCHRNB4CHRNA3FEN1
SCHEMBL9242426 0.82 CHRNB4 (0.67) ALOX5APCHRNB4CHRNA3FEN1
SCHEMBL6535548 0.81 GPR119 (0.49) ALOX5APF2RL3GPR119ALDH1A1FEN1
SCHEMBL6535308 0.81 GPR119 (0.49) ALOX5APF2RL3GPR119ALDH1A1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 — — WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 — — US 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALOX5AP 1831/4885F2RL3 3230/4885CHRNB4 4417/4885

“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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