SCHEMBL884829

SCHEMBL884829

O=C(COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCC[C@H]3O)c2=O)c1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.40
ACHE P22303 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CPT1A P50416 3/20 0.38
CPT2 P23786 1/20 0.38
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGIR P43119 2/20 0.38
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK2 Q15119 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 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
SCHEMBL885883 0.94 ALDH1A1 (0.38) ACHEALDH1A1KDM4EPTGIRRECQL
SCHEMBL885006 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EPTGIRRECQLSMN1; SMN2
SCHEMBL884664 0.88 ROCK2 (0.36) FKBP1AACHEALDH1A1CPT1ACPT2
SCHEMBL884501 0.87 PTGIR (0.37) ALDH1A1KDM4EPTGIRRECQLSMN1; SMN2
SCHEMBL2062692 0.87 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL2062327 0.87 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL884466 0.87 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL884945 0.86 KMT2A (0.45) ALDH1A1KDM4ERECQLMAPTTP53
SCHEMBL2062699 0.86 KMT2A (0.45) ALDH1A1KDM4ERECQLMAPTTP53
SCHEMBL885985 0.86 ROCK2 (0.37) ALDH1A1ROCK2KDM4EPTGIRRECQL

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 FKBP1A 2424/4885ACHE 156/4885ALDH1A1 947/4885

“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.