SCHEMBL3005017

SCHEMBL3005017

CC(C)(C)OC(=O)N1CCCC(N(CCCN)c2cccc(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.42
USP30 Q70CQ3 5/20 0.42
ANO1 Q5XXA6 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
UCHL1 P09936 1/20 0.39
AHCY P23526 1/20 0.39
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
ACKR3 P25106 1/20 0.38

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
SCHEMBL3005026 0.92 STS (0.42) STSUSP30ANO1MEN1KMT2A
SCHEMBL3001819 0.87 REN (0.44) STSUSP30ANO1FNTAFNTB
SCHEMBL2998132 0.87 STS (0.43) STSUSP30ANO1MEN1KMT2A
SCHEMBL2989962 0.84 STS (0.42) STSUSP30ANO1MEN1KMT2A
SCHEMBL4597911 0.79 MEN1 (0.53) STSMEN1KMT2ASMN1; SMN2TP53
SCHEMBL968749 0.76 REN (0.53)
SCHEMBL3611603 0.76 REN (0.53)
SCHEMBL968751 0.76 REN (0.53)
SCHEMBL742853 0.76 STS (0.47) STSUSP30ANO1MEN1KMT2A
SCHEMBL330770 0.75 PGR (0.47) USP30MEN1KMT2ACNR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190829-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC 2010-07-29 US disclosed
US-20100190829-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC 2010-07-29 US disclosed
WO-2008156828-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-20100190829-A1 RENIN INHIBITORS ACE, REN, DNPEP STS 1946/4885USP30 684/4885ANO1 3928/4885

“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.