SCHEMBL3070684

SCHEMBL3070684

CN[C@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ACE2 Q9BYF1 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CTRB1 P17538 1/20 0.51
GFER P55789 1/20 0.51
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.49
CTSK P43235 1/20 0.48

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
SCHEMBL3070688 1.00 PREP (0.53) PREPNPSR1ACE2TSHRL3MBTL1
SCHEMBL3070690 1.00 PREP (0.53) PREPNPSR1ACE2TSHRL3MBTL1
SCHEMBL31210905 0.93 SMN1; SMN2 (0.50)
SCHEMBL31210491 0.93 SMN1; SMN2 (0.50)
SCHEMBL13631108 0.88 ACE2 (0.55) PREPNPSR1ACE2TSHRL3MBTL1
SCHEMBL13434443 0.88 ACE2 (0.55) PREPNPSR1ACE2TSHRL3MBTL1
SCHEMBL13434440 0.88 ACE2 (0.55) PREPNPSR1ACE2TSHRL3MBTL1
SCHEMBL16789713 0.86 PREP (0.49) PREPNPSR1ACE2TSHRL3MBTL1
SCHEMBL10310512 0.84 PREP (0.56) PREPNPSR1ACE2TSHRL3MBTL1
SCHEMBL3011829 0.84 PREP (0.56) PREPNPSR1ACE2TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 PREP 3747/4885NPSR1 4860/4885ACE2 3605/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 PREP 3832/4885NPSR1 4795/4885ACE2 3226/4885

“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.