SCHEMBL16219932

SCHEMBL16219932

CN1CCOCC2CCCC21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.37
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
CHRNB4 P30926 5/20 0.33
CHRNA3 P32297 5/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33

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
SCHEMBL17545524 0.96 ALDH1A1 (0.39) L3MBTL3CNR2ALDH1A1L3MBTL1DRD2
SCHEMBL16432708 0.86 PIK3C3 (0.33) PIK3C3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29605672 0.86 PIK3C3 (0.33) PIK3C3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18818520 0.84 L3MBTL3 (0.40) L3MBTL3ALDH1A1L3MBTL1CHRNB4CHRNA3
SCHEMBL12946007 0.84 L3MBTL3 (0.40) L3MBTL3DRD2CHRNB4CHRNA3CHRNB2
SCHEMBL3022699 0.80 PIK3C3 (0.36) CNR2ALDH1A1L3MBTL1PIK3C3CHRNB4
SCHEMBL15849329 0.79 L3MBTL3 (0.35) L3MBTL3
SCHEMBL17540086 0.77 PIK3C3 (0.32) PIK3C3
SCHEMBL19275744 0.77 PIK3C3 (0.36) PIK3C3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL19574059 0.76 CHRNB4 (0.36) CNR2ALDH1A1L3MBTL1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 US disclosed
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 US disclosed
WO-2014177038-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-11-06 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-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 L3MBTL3 4054/4885CNR2 2300/4885ALDH1A1 3364/4885

“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.