SCHEMBL884526

SCHEMBL884526

O=C(c1c(-c2ccccc2)n(C2CCCC[C@H]2O)c(=O)n1Cc1ccc(F)c(F)c1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.39
PARP2 Q9UGN5 9/20 0.38
PARP3 Q9Y6F1 1/20 0.37
DPP4 P27487 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM1 P11229 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL2062642 1.00 PARP1 (0.39) PARP1PARP2PARP3DPP4ALDH1A1
SCHEMBL2062489 0.90 RXFP1 (0.40) ALDH1A1SIGMAR1
SCHEMBL884511 0.86 SIGMAR1 (0.38) PARP1PARP2PARP3DPP4ALDH1A1
SCHEMBL2062327 0.85 KDM4E (0.42) ALDH1A1
SCHEMBL2062692 0.85 KDM4E (0.42) ALDH1A1
SCHEMBL884466 0.85 KDM4E (0.42) ALDH1A1
SCHEMBL884945 0.85 KMT2A (0.45) ALDH1A1TSHR
SCHEMBL2062699 0.85 KMT2A (0.45) ALDH1A1TSHR
SCHEMBL8170594 0.84 USP19 (0.34) PARP1PARP2
SCHEMBL885006 0.84 ALDH1A1 (0.37) PARP1ALDH1A1TSHRCD274

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 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.