SCHEMBL884366

SCHEMBL884366

CNC(=O)COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCN(C(C)=O)C3)c2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BTK Q06187 1/20 0.34
ROCK2 O75116 2/20 0.33
KDM5A P29375 1/20 0.33
KIF11 P52732 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL884884 0.93 PTGIR (0.36) PTGIRALDH1A1TSHRKMT2AMAPT
SCHEMBL884381 0.91 KMT2A (0.39) PTGIRALDH1A1TSHRKMT2AMAPT
SCHEMBL884402 0.91 PTGIR (0.36) PTGIRALDH1A1TSHRKMT2AMAPT
SCHEMBL885504 0.90 ALDH1A1 (0.42) ALDH1A1TSHRKMT2AMAPTUSP2
SCHEMBL884600 0.90 KDM4E (0.40) ALDH1A1TSHRKMT2ASMN1; SMN2BTK
SCHEMBL884549 0.89 REN (0.39) PTGIRALDH1A1TSHRKMT2AMAPT
SCHEMBL2063592 0.89 MEN1 (0.38) PTGIRALDH1A1KMT2AMAPTHTT
SCHEMBL884591 0.89 KDM4E (0.39) PTGIRALDH1A1TSHRKMT2AMAPT
SCHEMBL2062724 0.87 PTGIR (0.34) PTGIRALDH1A1TSHRKMT2AMAPT
SCHEMBL2062942 0.86 CYP2D6 (0.37) ALDH1A1TSHRCYP3A4CYP2D6MMP1

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 202/4885ALDH1A1 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.