SCHEMBL4588153

SCHEMBL4588153

CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3nc4ccc(Cl)cc4o3)CC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 14/20 0.38
▸ HSF1 Q00613 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ CFTR P13569 1/20 0.34

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
SCHEMBL5641069 0.89 ENPP2 (0.37) ENPP2LMNATP53MAPTDRD4
SCHEMBL5640611 0.84 TAS1R3 (0.40) LMNATP53MAPTCFTR
SCHEMBL5641674 0.84 BCHE (0.42) ENPP2LMNATP53DRD4
SCHEMBL5642492 0.83 TP53 (0.45) ENPP2LMNATP53MAPTDRD4
SCHEMBL5639534 0.83 BCHE (0.41) ENPP2LMNATP53MAPTDRD4
SCHEMBL4586428 0.82 KCNH2 (0.47) LMNATP53DRD4
SCHEMBL5639513 0.80 BCHE (0.37) ENPP2LMNATP53MAPT
SCHEMBL4587973 0.80 DRD4 (0.39) ENPP2DRD4
SCHEMBL4587789 0.79 BCHE (0.37) LMNAMAPT
SCHEMBL4587510 0.79 CCR3 (0.46) —

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-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 — — EP disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 — — EP disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 — — 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 ENPP2 1882/4885HSF1 2376/4885LMNA 774/4885

“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.

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