SCHEMBL3233157

SCHEMBL3233157

CCCNc1nc(CC)n(C(C)C)c1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC26A6 Q9BXS9 1/20 0.31
BRD4 O60885 3/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90B1 P14625 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3240638 0.82 SMN1; SMN2 (0.34) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3236046 0.81 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3232631 0.77 DAPK3 (0.40) HSD17B10SMN1; SMN2CDK5NPSR1
SCHEMBL3227883 0.70 SMN1; SMN2 (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10469441 0.61 CHRNA7 (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10468277 0.60 SMN1; SMN2 (0.38) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10467364 0.60 SMN1; SMN2 (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4771680 0.60 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11488718 0.60 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3229752 0.60 DAPK3 (0.43) KDM4EALDH1A1HPGDHSD17B10CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 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 (2 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 2540/4885ALDH1A1 1625/4885HPGD 604/4885
US-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 KDM4E 3435/4885ALDH1A1 1248/4885HPGD 1486/4885

“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.