SCHEMBL4524496

SCHEMBL4524496

COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.49
CHRNA3 P32297 4/20 0.49
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
DRD4 P21917 2/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
FAAH O00519 2/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4517266 0.86 FAAH (0.46) CHRNB4CHRNA3ALDH1A1CHRNB2CHRNA4
SCHEMBL4535781 0.86 ALDH1A1 (0.48) CHRNB4CHRNA3NPSR1ALDH1A1CHRNB2
SCHEMBL8795523 0.84 CHRNB4 (0.66) CHRNB4CHRNA3DRD4CHRNB2CHRNA4
SCHEMBL8795514 0.84 CHRNB4 (0.66) CHRNB4CHRNA3DRD4CHRNB2CHRNA4
SCHEMBL4534956 0.82 CHRNB4 (0.53) CHRNB4CHRNA3ALDH1A1DRD4CHRNB2
SCHEMBL8792640 0.81 CHRNB4 (0.61) CHRNB4CHRNA3ALDH1A1DRD4CHRNB2
SCHEMBL5257833 0.80 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29007827 0.78 CHRNB4 (0.41) CHRNB4CHRNA3MEN1KMT2A
SCHEMBL4855409 0.78 DRD2 (0.48) CHRNB4CHRNA3ALDH1A1DRD4MEN1
SCHEMBL8791874 0.78 DRD4 (0.52) CHRNB4CHRNA3NPSR1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 CHRNB4 3510/4885CHRNA3 1335/4885NPSR1 429/4885

“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.