SCHEMBL885768

SCHEMBL885768

CC(=O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(Cc3ccc(F)c(F)c3)c2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.38
PARP2 Q9UGN5 8/20 0.38
PARP3 Q9Y6F1 1/20 0.35
REN P00797 3/20 0.35
DPP4 P27487 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
PREP P48147 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
SCHEMBL2062942 0.90 CYP2D6 (0.37) PARP1RENKDM4EALDH1A1TSHR
SCHEMBL884614 0.87 LMNA (0.37) PARP1PARP2ALDH1A1L3MBTL1
SCHEMBL884600 0.86 KDM4E (0.40) KDM4EALDH1A1TSHR
SCHEMBL885504 0.86 ALDH1A1 (0.42) KDM4EALDH1A1TSHR
SCHEMBL884402 0.85 PTGIR (0.36) RENKDM4EALDH1A1TSHR
SCHEMBL884549 0.83 REN (0.39) RENKDM4EALDH1A1TSHR
SCHEMBL2062642 0.83 PARP1 (0.39) PARP1PARP2PARP3DPP4ALDH1A1
SCHEMBL884526 0.83 PARP1 (0.39) PARP1PARP2PARP3DPP4ALDH1A1
SCHEMBL8169739 0.83 SIGMAR1 (0.36) PARP1RENSIGMAR1
SCHEMBL884554 0.83 TDP1 (0.34) PARP1PARP2RAB9AALDH1A1L3MBTL1

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 10 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

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 PARP1 3293/4885PARP2 3948/4885PARP3 2612/4885

“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.