SCHEMBL3017161

SCHEMBL3017161

CC(=O)N1CCCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 4/20 0.50
CASP6 P55212 1/20 0.50
MAPT P10636 7/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
AKR1C3 P42330 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 6/20 0.41
ALOX12 P18054 6/20 0.41
GAA P10253 5/20 0.41
ALOX15 P16050 5/20 0.41
MAPK1 P28482 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 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
SCHEMBL2379423 0.95 GFER (0.55) GFERCASP6MAPTMEN1KMT2A
SCHEMBL16922341 0.85 LPL (0.49) LMNA
SCHEMBL578443 0.84 LIPG (0.44) GFERCASP6MEN1KMT2AAKR1C3
SCHEMBL3025817 0.83 MAPT (0.55) MAPTMEN1KMT2AALDH1A1CYP2C19
SCHEMBL24511506 0.83 LPL (0.42) GFERCASP6MEN1KMT2AAKR1C3
SCHEMBL2354573 0.82 LPL (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30613530 0.81 HRH3 (0.41) GFERCASP6MAPTMEN1KMT2A
SCHEMBL14167571 0.81 AKR1C3 (0.52) MAPTKMT2AAKR1C3ALDH1A1MAPK1
SCHEMBL15656543 0.81 MAPT (0.48) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL31646075 0.81 POLB (0.42) GFERCASP6MAPTMEN1KMT2A

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-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 US disclosed
EP-2118105-A1 PURINE DERIVATIVES Palau Pharma, S.A. (ES) 2009-11-18 EP disclosed
WO-2008090181-A1 PURINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2008-07-31 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 GFER 4367/4885CASP6 1476/4885MAPT 4689/4885

“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.