SCHEMBL2062941

SCHEMBL2062941

CC(=O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(Cc3cccc(OCCOc4cccnc4)c3)c2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
RECQL P46063 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 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
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PTGIR P43119 2/20 0.34
BTK Q06187 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
SCHEMBL884402 0.93 PTGIR (0.36) KDM4ERECQLCYP3A4CYP2D6BCL9
SCHEMBL884303 0.92 KDM4E (0.36) KDM4ERECQLCYP3A4CYP2D6BCL9
SCHEMBL884549 0.91 REN (0.39) KDM4ERECQLCYP3A4CYP2D6ALDH1A1
SCHEMBL2062724 0.90 PTGIR (0.34) KDM4ERECQLCYP3A4CYP2D6BCL9
SCHEMBL885607 0.89 ALDH1A1 (0.38) KDM4ERECQLALDH1A1TSHRCASP1
SCHEMBL885504 0.88 ALDH1A1 (0.42) KDM4ERECQLCYP3A4CYP2D6ALDH1A1
SCHEMBL884600 0.88 KDM4E (0.40) KDM4EALDH1A1TSHRLMNABTK
SCHEMBL884381 0.87 KMT2A (0.39) KDM4ERECQLCYP2D6ALDH1A1TSHR
SCHEMBL885566 0.86 HTR1A (0.36) KDM4ERECQLCYP3A4CYP2D6BCL9
SCHEMBL884366 0.86 PTGIR (0.37) KDM4ERECQLCYP3A4CYP2D6ALDH1A1

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 9 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
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

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 KDM4E 2733/4885RECQL 936/4885CYP3A4 168/4885

“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.