SCHEMBL884885

SCHEMBL884885

CC(=O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(Cc3cccc(OCC(C)CC(N)=O)c3)c2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.35
PTGIR P43119 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
PARP1 P09874 1/20 0.32
PDE6D O43924 1/20 0.32
TEC P42680 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 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
SCHEMBL884532 0.90 BCL9 (0.35) ALDH1A1TSHRCYP2C19KMT2AMEN1
SCHEMBL884402 0.89 PTGIR (0.36) BTKPTGIRALDH1A1TSHRUSP2
SCHEMBL2062724 0.88 PTGIR (0.34) BTKPTGIRALDH1A1TSHRPDE6D
SCHEMBL885504 0.87 ALDH1A1 (0.42) ALDH1A1TSHRUSP2CYP1A2CYP3A4
SCHEMBL884600 0.87 KDM4E (0.40) BTKALDH1A1TSHRTECKMT2A
SCHEMBL884884 0.87 PTGIR (0.36) BTKPTGIRALDH1A1TSHRCASP1
SCHEMBL885986 0.87 ALDH1A1 (0.34) PTGIRFAAHALDH1A1TSHRPARP1
SCHEMBL884549 0.87 REN (0.39) BTKPTGIRALDH1A1TSHRUSP2
SCHEMBL884381 0.86 KMT2A (0.39) PTGIRALDH1A1TSHRUSP2CYP2D6
SCHEMBL884721 0.86 PTGIR (0.32) BTKPTGIRPDE6DKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT BTK 2305/4885PTGIR 202/4885FAAH 890/4885

“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.