Sugi Predict

Sugi Predict / Compounds / SCHEMBL2062744

SCHEMBL2062744

SCHEMBL2062744

C=CCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCC[C@@H]2NC(=O)CC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ FGFR1 P11362 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
SCHEMBL2062353 0.88 OPRL1 (0.36) ALDH1A1CHEK1AURKADAPK3JAK2
SCHEMBL2062406 0.88 OPRL1 (0.36) ALDH1A1CHEK1AURKADAPK3JAK2
SCHEMBL885664 0.85 SLC18A3 (0.38) RXFP1POLBSIGMAR1SMN1; SMN2USP19
SCHEMBL884196 0.84 CHRM1 (0.36) ALDH1A1CDK8KMT2ASIGMAR1
SCHEMBL10224836 0.84 CHRM3 (0.36) ALDH1A1CHEK1AURKADAPK3JAK2
SCHEMBL884492 0.83 SLC6A2 (0.35) ALDH1A1
SCHEMBL884511 0.83 SIGMAR1 (0.38) ALDH1A1KMT2ASIGMAR1
SCHEMBL884552 0.83 ALDH1A1 (0.33) ALDH1A1CHEK1AURKADAPK3JAK2
SCHEMBL2062777 0.83 MEN1 (0.34) ALDH1A1POLBKMT2A
SCHEMBL886101 0.83 REN (0.38) RXFP1ALDH1A1POLBSIGMAR1

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 930/4885ALDH1A1 947/4885POLB 1491/4885

“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.