SCHEMBL499010

SCHEMBL499010

CN(CCC(=O)c1cc(F)ccc1C1=NC(C)(C)CO1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
ATM Q13315 1/20 0.35
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
HTR2A P28223 1/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
IL2 P60568 1/20 0.33
TTK P33981 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
SCHEMBL499983 0.90 HTR2C (0.35) PDK2ATMHTR2CSLC6A4LMNA
SCHEMBL499564 0.86 ATM (0.38) ATMLMNAMAPTHTTIL2
SCHEMBL499315 0.85 HTR2C (0.33) PDK2ATMHTR2CSLC6A4HTR2A
SCHEMBL499317 0.85 HTR2C (0.33) PDK2ATMHTR2CSLC6A4HTR2A
SCHEMBL499316 0.85 HTR2C (0.33) PDK2ATMHTR2CSLC6A4HTR2A
SCHEMBL8081880 0.77 HTR2C (0.32) PDK2HTR2CSLC6A4LMNAMAPT
SCHEMBL10254301 0.75 HTR2C (0.33) PDK2ATMHTR2CSLC6A4HTT
SCHEMBL499754 0.75 HTR2C (0.33) PDK2ATMHTR2CSLC6A4HTT
SCHEMBL499755 0.75 HTR2C (0.33) PDK2ATMHTR2CSLC6A4HTT
SCHEMBL499753 0.75 HTR2C (0.33) PDK2ATMHTR2CSLC6A4HTT

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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP PDK2 2610/4885ATM 4671/4885HTR2C 2973/4885

“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.