SCHEMBL885490

SCHEMBL885490

O=C(c1[nH]c(=O)n(-c2ccccc2)c1-c1cccc(F)c1)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.49
USP2 O75604 9/20 0.47
CYP3A4 P08684 9/20 0.47
CYP1A2 P05177 7/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HIF1A Q16665 4/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 2/20 0.43
SCD O00767 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL2063138 0.90 SIGMAR1 (0.49) RENALDH1A1HPGDHSD17B10MEN1
SCHEMBL885507 0.87 CYP1A2 (0.47) RENCYP3A4CYP1A2ALDH1A1CYP2C9
SCHEMBL885984 0.82 PIN1 (0.48) USP2CYP3A4CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL2062757 0.82 SCN5A (0.46) RENUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL2063213 0.80 KMO (0.44) USP2CYP3A4CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL2063853 0.79 ALDH1A1 (0.42) USP2CYP3A4CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL885708 0.78 REN (0.54) RENUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL2063135 0.78 RXFP1 (0.49) RENALDH1A1HPGDHSD17B10MEN1
SCHEMBL2063195 0.78 REN (0.60) RENUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL885498 0.77 MAT2A (0.49) CYP1A2ALDH1A1SMN1; SMN2HPGDMEN1

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 REN 1/4885USP2 2836/4885CYP3A4 168/4885

“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.