SCHEMBL884664

SCHEMBL884664

CCC(=O)N[C@H]1CCCCC1n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(Cc2cccc(OCC(=O)N3CCOCC3)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
FKBP1A P62942 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CCR8 P51685 1/20 0.36
ACHE P22303 1/20 0.35
CPT1A P50416 2/20 0.35
CPT2 P23786 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGIR P43119 2/20 0.35

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
SCHEMBL2063854 0.94 CCR8 (0.37) CCR8ACHECPT1ACPT2SMN1; SMN2
SCHEMBL884353 0.90 CCR8 (0.38) KDM4ECCR8CPT1ACPT2SMN1; SMN2
SCHEMBL2062570 0.90 CCR8 (0.39) KDM4ECCR8ALDH1A1RECQLMAPT
SCHEMBL2063373 0.89 CCR8 (0.37) ROCK2CCR8CPT1ACPT2ALDH1A1
SCHEMBL884829 0.88 FKBP1A (0.40) ROCK2FKBP1AKDM4EACHECPT1A
SCHEMBL2062020 0.88 KMT2A (0.41) KDM4ECCR8ALDH1A1RECQLTP53
SCHEMBL2062618 0.88 CCR8 (0.47) KDM4ECCR8SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2063265 0.88 CCR8 (0.38) KDM4ECCR8ALDH1A1RECQLTP53
SCHEMBL2063134 0.86 CCR8 (0.37) KDM4ECCR8ALDH1A1RECQLMAPT
SCHEMBL10224836 0.85 CHRM3 (0.36) CCR8SMN1; SMN2ALDH1A1NPC1RAB9A

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 ROCK2 903/4885FKBP1A 2424/4885KDM4E 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.