SCHEMBL885458

SCHEMBL885458

COCCCOc1cccc(-n2c(-c3cccc(Cl)c3)c(C(=O)N3CCNCC3)[nH]c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.53
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
HTR2C P28335 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 1/20 0.39
MAPT P10636 2/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRB1 P08588 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL885460 0.96 REN (0.47) RENALDH1A1KDM4ENTRK1NTRK3
SCHEMBL2063195 0.91 REN (0.60) RENALDH1A1KDM4ENTRK1NTRK3
SCHEMBL885708 0.87 REN (0.54) RENALDH1A1KDM4ENTRK1NTRK3
SCHEMBL885859 0.83 REN (0.50) RENALDH1A1NTRK1NTRK3NTRK2
SCHEMBL885507 0.82 CYP1A2 (0.47) RENALDH1A1HTR2CMAPTPTGS2
SCHEMBL8170928 0.79 REN (0.46) RENMAPTMEN1KMT2A
SCHEMBL885512 0.79 REN (0.45) RENALDH1A1NTRK1NTRK3NTRK2
SCHEMBL885499 0.77 REN (0.45) RENALDH1A1KDM4ENTRK1NTRK3
SCHEMBL2062794 0.76 REN (0.56) RENALDH1A1KDM4EMAPTMEN1
SCHEMBL885581 0.75 FAAH (0.47) RENALDH1A1KDM4ENTRK1NTRK3

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 947/4885KDM4E 2733/4885

“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.