SCHEMBL2062489

SCHEMBL2062489

O=C(c1c(-c2ccccc2)n([C@@H]2CCCC[C@H]2O)c(=O)n1Cc1ccccc1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
SLC18A3 Q16572 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
REN P00797 2/20 0.34
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CYP3A4 P08684 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
SCHEMBL2062692 0.90 KDM4E (0.42) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL884466 0.90 KDM4E (0.42) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL2062327 0.90 KDM4E (0.42) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL884526 0.90 PARP1 (0.39) SIGMAR1ALDH1A1
SCHEMBL2062642 0.90 PARP1 (0.39) SIGMAR1ALDH1A1
SCHEMBL884945 0.89 KMT2A (0.45) CYP2C9CYP2C19ALDH1A1POLBDRD2
SCHEMBL2062699 0.89 KMT2A (0.45) CYP2C9CYP2C19ALDH1A1POLBDRD2
SCHEMBL885006 0.88 ALDH1A1 (0.37) CYP2C9CYP2C19ALDH1A1POLBREN
SCHEMBL8170594 0.88 USP19 (0.34) SLC18A3REN
SCHEMBL886801 0.88 MAPK8 (0.39) RXFP1SLC18A3SIGMAR1ALDH1A1DRD2

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 RXFP1 930/4885SLC18A3 2461/4885SIGMAR1 4008/4885

“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.