SCHEMBL2063373

SCHEMBL2063373

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.37
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
KDM5A P29375 1/20 0.35
PTGIR P43119 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
CASP3 P42574 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
CHRM3 P20309 1/20 0.33
UBE2N P61088 1/20 0.33
CTSD P07339 1/20 0.32
REN P00797 1/20 0.32
AVPR1B P47901 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CLK2 P49760 1/20 0.32
BLK P51451 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL884353 0.93 CCR8 (0.38) CCR8KDM5APTGIRCASP1CASP7
SCHEMBL2062570 0.91 CCR8 (0.39) CCR8PTGIRCASP1CASP7CHRM3
SCHEMBL2063854 0.91 CCR8 (0.37) CCR8PTGIRCPT2CPT1AALDH1A1
SCHEMBL2063134 0.90 CCR8 (0.37) CCR8PTGIRCASP1CASP7CHRM3
SCHEMBL885985 0.90 ROCK2 (0.37) ROCK2ROCK1KDM5APTGIRCASP1
SCHEMBL2062020 0.90 KMT2A (0.41) CCR8CASP1CASP7CHRM3USP2
SCHEMBL2062618 0.90 CCR8 (0.47) CCR8CHRM3ALDH1A1KMT2A
SCHEMBL2063265 0.90 CCR8 (0.38) CCR8CASP1CASP7CHRM3REN
SCHEMBL884664 0.89 ROCK2 (0.36) CCR8ROCK2PTGIRCPT2CPT1A
SCHEMBL2063371 0.88 CCR8 (0.37) CCR8CASP1CASP7CHRM3USP2

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 9 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
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 CCR8 3694/4885ROCK2 903/4885ROCK1 530/4885

“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.