SCHEMBL2990720

SCHEMBL2990720

CN(CC(O)CC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.41
CTSS P25774 1/20 0.41
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSH P09668 1/20 0.39
HTR2C P28335 5/20 0.38
SLC6A4 P31645 5/20 0.38
HTR2A P28223 1/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
CACNA1B Q00975 1/20 0.34
EPHX1 P07099 1/20 0.33
REN P00797 1/20 0.33

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
SCHEMBL4803683 0.86 CTSK (0.39) CTSKCTSSCTSLCTSBCTSH
SCHEMBL499190 0.84 CTSK (0.40) CTSKCTSSCTSLCTSBCTSH
SCHEMBL499191 0.84 CTSK (0.40) CTSKCTSSCTSLCTSBCTSH
SCHEMBL3639189 0.81 CTSK (0.40) CTSKCTSSCTSLCTSBCTSH
SCHEMBL3639191 0.81 CTSK (0.40) CTSKCTSSCTSLCTSBCTSH
SCHEMBL24991144 0.81 CTSK (0.37) CTSKCTSSCTSLCTSBCTSH
SCHEMBL1447140 0.79 HDAC6 (0.36) CTSKCTSSCTSLCTSBHTR2C
SCHEMBL3770470 0.79 CTSK (0.37) CTSKCTSSCTSLCTSBCTSH
SCHEMBL3770473 0.79 CTSK (0.37) CTSKCTSSCTSLCTSBCTSH
SCHEMBL8911411 0.79 HTR2C (0.42) CTSKCTSSCTSLCTSBCTSH

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-20100184805-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100184805-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100184805-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-22 US disclosed
WO-2008156832-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-20100184805-A1 RENIN INHIBITORS ACE, REN, ACE2 CTSK 101/4885CTSS 64/4885CTSL 79/4885

“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.