SCHEMBL884402

SCHEMBL884402

CC(=O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(Cc3cccc(OCCOc4ccccc4)c3)c2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.36
BTK Q06187 4/20 0.36
REN P00797 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 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
SCHEMBL884549 0.96 REN (0.39) PTGIRBTKRENALDH1A1TSHR
SCHEMBL2062724 0.94 PTGIR (0.34) PTGIRBTKRENALDH1A1TSHR
SCHEMBL2062941 0.93 KDM4E (0.38) PTGIRBTKALDH1A1TSHRUSP2
SCHEMBL884600 0.93 KDM4E (0.40) BTKALDH1A1TSHRMEN1KMT2A
SCHEMBL885504 0.93 ALDH1A1 (0.42) ALDH1A1TSHRUSP2CYP1A2CYP3A4
SCHEMBL884381 0.92 KMT2A (0.39) PTGIRALDH1A1TSHRUSP2CYP2D6
SCHEMBL884366 0.91 PTGIR (0.37) PTGIRBTKALDH1A1TSHRUSP2
SCHEMBL884884 0.90 PTGIR (0.36) PTGIRBTKALDH1A1TSHRCASP1
SCHEMBL2062942 0.89 CYP2D6 (0.37) RENALDH1A1TSHRCYP3A4CYP2D6
SCHEMBL884591 0.89 KDM4E (0.39) PTGIRALDH1A1TSHRCYP2C9MEN1

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 11 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-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
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
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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
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 PTGIR 202/4885BTK 2305/4885REN 1/4885

“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.