Sugi Predict

Sugi Predict / Compounds / SCHEMBL4690375

SCHEMBL4690375

SCHEMBL4690375

NC1CCCCC1C(=O)Nc1ccc(N2CCNCC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.46
▸ KDM1A O60341 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ F10 P00742 1/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ MAOA P21397 1/20 0.36
▸ RCOR1 Q9UKL0 1/20 0.36

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
SCHEMBL4691701 0.98 MAPKAPK2 (0.46) MAPKAPK2KDM1AMAOBALDH1A1LMNA
SCHEMBL4690372 0.89 MAPKAPK2 (0.46) MAPKAPK2ALDH1A1LMNAMAPTRAB9A
SCHEMBL4690349 0.87 MAPKAPK2 (0.46) MAPKAPK2ALDH1A1LMNAMAPTRAB9A
SCHEMBL4745979 0.82 KDM1A (0.49) KDM1AMAOBALDH1A1MAPTRAB9A
SCHEMBL5436044 0.82 F10 (0.41) KDM1AMAOBALDH1A1LMNAMAPT
SCHEMBL5435864 0.80 F10 (0.57) ALDH1A1KMT2AF10
SCHEMBL5440980 0.80 KDM1A (0.49) KDM1AMAOBALDH1A1MAPTRAB9A
SCHEMBL5445580 0.80 KLK5 (0.40) KDM1AMAOBALDH1A1LMNAMAPT
SCHEMBL5435692 0.77 KDM1A (0.52) KDM1AMAOBALDH1A1LMNAMAPT
SCHEMBL5442494 0.75 KDM1A (0.52) KDM1AMAOBALDH1A1LMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 — — EP disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 — — US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 — — US disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 — — EP disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 — — 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD MAPKAPK2 3982/4885KDM1A 2307/4885MAOB 484/4885

“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.