SCHEMBL3514728

SCHEMBL3514728

CC(C)(C)C1C(Nc2ccc(N)cc2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RIPK1 Q13546 2/20 0.33
EPHX1 P07099 1/20 0.33
GAA P10253 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CASP6 P55212 1/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DPP4 P27487 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 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
SCHEMBL3514730 1.00 RAB9A (0.37) RAB9AMAPTALDH1A1NPC1MAPK1
SCHEMBL6210544 0.87 SMN1; SMN2 (0.42) RAB9AMAPTALDH1A1NPC1L3MBTL1
SCHEMBL17027774 0.78 L3MBTL1 (0.40) MAPTALDH1A1HTTL3MBTL1GAA
SCHEMBL29711712 0.78 L3MBTL1 (0.40) MAPTALDH1A1HTTL3MBTL1GAA
SCHEMBL18979438 0.74 TYRO3 (0.40) POLB
SCHEMBL21952101 0.73 TRPV1 (0.35) RIPK1
SCHEMBL18890333 0.73 LMNA (0.40) MAPTALDH1A1HTTRIPK1GAA
SCHEMBL1421910 0.72 RIPK1 (0.41) RIPK1GAAGFERLMNADPP4
SCHEMBL3692484 0.71 EPHX2 (0.33) RIPK1LMNANPSR1
SCHEMBL2855919 0.71 NPC1 (0.46) MAPTNPC1HTTGAAMEN1

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
US-8404674-B2 Substituted 9H-purin-2-YL compounds, compositions thereof and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-26 US disclosed
US-20100311721-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 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-20100311721-A1 COMPOUNDS CCNA1, MKI67, CCNT1 RAB9A 754/4885MAPT 3437/4885ALDH1A1 93/4885

“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.