SCHEMBL885449

SCHEMBL885449

O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccn3)C2)c(=O)n1Cc1ccccc1)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.36
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSS P25774 3/20 0.36
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 4/20 0.34
REN P00797 2/20 0.34
OPRK1 P41145 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSV O60911 1/20 0.33
OPRM1 P35372 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
SCHEMBL885755 0.92 KMT2A (0.36) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL885442 0.90 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2NPSR1LMNAHPGD
SCHEMBL884465 0.82 KMT2A (0.37) ALDH1A1RENSMN1; SMN2NPSR1LMNA
SCHEMBL884750 0.82 KDM4E (0.38) ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL2063270 0.81 SIGMAR1 (0.44) ALDH1A1HPGD
SCHEMBL2062942 0.81 CYP2D6 (0.37) ALDH1A1RENCYP3A4HPGD
SCHEMBL884614 0.81 LMNA (0.37) ALDH1A1SMN1; SMN2NPSR1LMNAHPGD
SCHEMBL884626 0.81 PKM (0.42) ALDH1A1CYP3A4CYP2C9LMNA
SCHEMBL885607 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL884782 0.80 REN (0.38) ALDH1A1RENNPSR1LMNA

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 CTSK 53/4885CTSL 69/4885CTSB 121/4885

“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.