SCHEMBL3004682

SCHEMBL3004682

CN(CC(CC1CCCCC1)NC(=O)c1cccc(N(CCCN)c2cccc(Cl)c2)c1)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
METAP2 P50579 1/20 0.37
CTSS P25774 3/20 0.37
PPM1D O15297 1/20 0.36
REN P00797 9/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRM1 Q13255 1/20 0.35
CTSL P07711 2/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3004685 1.00 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4METAP2
SCHEMBL3005071 0.91 REN (0.42) METAP2CTSSPPM1DRENCTSL
SCHEMBL3005069 0.91 REN (0.42) METAP2CTSSPPM1DRENCTSL
SCHEMBL3000140 0.89 REN (0.38) METAP2CTSSPPM1DRENCYP3A4
SCHEMBL3000136 0.89 REN (0.38) METAP2CTSSPPM1DRENCYP3A4
SCHEMBL4755197 0.84 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4METAP2
SCHEMBL8107671 0.83 REN (0.46) CHRNB2CHRNB4CHRNA3CHRNA4METAP2
SCHEMBL1861541 0.81 CTSL (0.39) CTSSCTSLCTSK
SCHEMBL1861544 0.81 CTSL (0.39) CTSSCTSLCTSK
SCHEMBL1866530 0.81 CTSL (0.39) CTSSPPM1DCTSLCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190829-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC 2010-07-29 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-20100190829-A1 RENIN INHIBITORS ACE, REN, DNPEP CHRNB2 3260/4885CHRNB4 3630/4885CHRNA3 3834/4885

“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.