SCHEMBL3311674

SCHEMBL3311674

COc1cc(OC[C@@H]2CCCN2C(=O)O)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.46
▸ CHRNB4 P30926 3/20 0.44
▸ CHRNA3 P32297 3/20 0.44
▸ FAAH O00519 2/20 0.43
▸ HSD11B1 P28845 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ HTR4 Q13639 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ LTA4H P09960 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
SCHEMBL3317820 1.00 PARP15 (0.46) PARP15PARP10CHRNB4CHRNA3FAAH
SCHEMBL13362068 0.91 PARP15 (0.46) PARP15PARP10CHRNB4CHRNA3FAAH
SCHEMBL3313710 0.91 CHRNB4 (0.44) PARP15PARP10CHRNB4CHRNA3FAAH
SCHEMBL3313944 0.91 CHRNB4 (0.44) PARP15PARP10CHRNB4CHRNA3FAAH
SCHEMBL3315730 0.86 ALOX5AP (0.47) PARP15PARP10CHRNB4CHRNA3FAAH
SCHEMBL3315725 0.86 ALOX5AP (0.47) PARP15PARP10CHRNB4CHRNA3FAAH
SCHEMBL13849433 0.82 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL13362025 0.82 CHRNB4 (0.44) PARP15PARP10CHRNB4CHRNA3FAAH
SCHEMBL4534956 0.81 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4HTR4
SCHEMBL28159876 0.78 FFAR1 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4FFAR1

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 PARP15 358/4885PARP10 479/4885CHRNB4 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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