SCHEMBL884440

SCHEMBL884440

O=C(c1c(-c2ccccc2)n(C2CCCC[C@@H]2O)c(=O)n1CCCNS(=O)(=O)c1ccccc1)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
ALOX15 P16050 1/20 0.34
CCR1 P32246 1/20 0.33
SLC18A3 Q16572 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TBXA2R P21731 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
PPARG P37231 1/20 0.32
PTGES O14684 1/20 0.32
SFRP1 Q8N474 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
SCHEMBL884791 1.00 HTR7 (0.36) HTR7SMN1; SMN2ITGB3ITGA2BALOX15
SCHEMBL884589 0.95 ALOX15 (0.36) HTR7SMN1; SMN2ITGB3ITGA2BALOX15
SCHEMBL884513 0.88 HTR1A (0.34) HTR7SLC18A3
SCHEMBL2063305 0.87 MEN1 (0.34) HTR7ALOX15ALDH1A1LMNAPKM
SCHEMBL8174751 0.87 ACP1 (0.37) HTR7SMN1; SMN2ITGB3ITGA2BCCR1
SCHEMBL884418 0.85 SLC18A3 (0.38) SMN1; SMN2SLC18A3ALDH1A1KDM4E
SCHEMBL884485 0.85 SLC18A3 (0.38) SMN1; SMN2SLC18A3ALDH1A1KDM4E
SCHEMBL884541 0.84 CYP2C19 (0.36) SMN1; SMN2ITGB3ITGA2BALDH1A1LMNA
SCHEMBL884696 0.84 POLB (0.34) HTR7SMN1; SMN2ITGB3ITGA2BCCR1
SCHEMBL8174764 0.83 SLC18A3 (0.39) SMN1; SMN2SLC18A3

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 10 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

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 HTR7 1418/4885SMN1; SMN2 4547/4885ITGB3 3180/4885

“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.