SCHEMBL5641069

SCHEMBL5641069

CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3nc4ccccc4o3)CC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.37
▸ FAAH O00519 1/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ FASN P49327 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ DRD4 P21917 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
SCHEMBL4588153 0.89 ENPP2 (0.38) ENPP2TP53LMNAMAPTDRD4
SCHEMBL5640377 0.83 CNR1 (0.49) CHRNA7TP53LMNAMAPT
SCHEMBL5643709 0.83 METTL3 (0.45) ENPP2FAAHCHRNA7LMNAMAPT
SCHEMBL5640611 0.82 TAS1R3 (0.40) CHRNA7TP53LMNAMAPT
SCHEMBL5642348 0.81 BCHE (0.49) MAPT
SCHEMBL4587510 0.80 CCR3 (0.46) —
SCHEMBL5640949 0.79 F10 (0.48) TP53LMNA
SCHEMBL4587973 0.79 DRD4 (0.39) ENPP2DRD4
SCHEMBL5642492 0.79 TP53 (0.45) ENPP2TP53LMNAMAPTDRD4
SCHEMBL5641900 0.79 PLAU (0.38) ENPP2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — US 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 1882/4885FAAH 1746/4885CHRNA7 4753/4885

“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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