SCHEMBL884549

SCHEMBL884549

COCCOc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCN(C(C)=O)C3)c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 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 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
PTGIR P43119 2/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL884402 0.96 PTGIR (0.36) RENALDH1A1TSHRCYP3A4CYP2D6
SCHEMBL2062724 0.93 PTGIR (0.34) RENALDH1A1TSHRCYP3A4CYP2D6
SCHEMBL885504 0.92 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4CYP2D6USP2
SCHEMBL2062941 0.91 KDM4E (0.38) ALDH1A1TSHRCYP3A4CYP2D6USP2
SCHEMBL884600 0.91 KDM4E (0.40) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL884381 0.90 KMT2A (0.39) ALDH1A1TSHRCYP2D6USP2CYP2C19
SCHEMBL884366 0.89 PTGIR (0.37) ALDH1A1TSHRCYP3A4CYP2D6USP2
SCHEMBL884782 0.89 REN (0.38) RENALDH1A1CYP2C19MEN1KMT2A
SCHEMBL884884 0.88 PTGIR (0.36) ALDH1A1TSHRCASP1CASP7KMT2A
SCHEMBL2062942 0.87 CYP2D6 (0.37) RENALDH1A1TSHRCYP3A4CYP2D6

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 REN 1/4885ALDH1A1 947/4885TSHR 2563/4885

“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.