SCHEMBL884353

SCHEMBL884353

CCC(=O)N[C@H]1CCCCC1n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(Cc2cccc(OCC(=O)NC)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.38
PTGIR P43119 4/20 0.35
KMT2A Q03164 4/20 0.34
HTT P42858 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM5A P29375 1/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 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
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL2063373 0.93 CCR8 (0.37) CCR8PTGIRKMT2ACHRM3KDM5A
SCHEMBL2062570 0.93 CCR8 (0.39) CCR8PTGIRKMT2ACHRM3USP2
SCHEMBL2063854 0.92 CCR8 (0.37) CCR8PTGIRKMT2AALDH1A1CPT2
SCHEMBL2062020 0.91 KMT2A (0.41) CCR8KMT2ACHRM3USP2ALDH1A1
SCHEMBL2062618 0.91 CCR8 (0.47) CCR8KMT2ACHRM3ALDH1A1POLB
SCHEMBL2063265 0.91 CCR8 (0.38) CCR8KMT2ACHRM3USP2ALDH1A1
SCHEMBL884664 0.90 ROCK2 (0.36) CCR8PTGIRKMT2AALDH1A1CPT2
SCHEMBL884501 0.90 PTGIR (0.37) PTGIRKMT2AHTTCHRM3KDM5A
SCHEMBL2063134 0.89 CCR8 (0.37) CCR8PTGIRKMT2ACHRM3USP2
SCHEMBL10224836 0.88 CHRM3 (0.36) CCR8CHRM3ALDH1A1NPC1RAB9A

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 CCR8 3694/4885PTGIR 202/4885KMT2A 4058/4885

“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.