SCHEMBL6921253

SCHEMBL6921253

CCOC(=O)CCNCCc1ccc(Cl)cc1C[N+]1(C(=O)[C@](C)(O)c2ccccc2)CCC[C@H]1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.36
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LTA4H P09960 2/20 0.31
F10 P00742 1/20 0.30
FDFT1 P37268 1/20 0.30

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
SCHEMBL6925131 0.84 F2 (0.44) F2F10
SCHEMBL6926915 0.84 F2 (0.39) F2SMN1; SMN2
SCHEMBL6926517 0.82 F2 (0.49) F2F10
SCHEMBL6927720 0.80 F2 (0.38) F2
SCHEMBL6924250 0.73 F2 (0.47) F2F10
SCHEMBL6924376 0.73 F2 (0.41) F2
SCHEMBL6921255 0.72 F2 (0.69) F2F10
SCHEMBL7377205 0.72 TSHR (0.44) F2POLBSMN1; SMN2F10
SCHEMBL6923524 0.71 F2 (0.38) F2F10
SCHEMBL6924463 0.70 F2 (0.36) F2F10

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-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI F2 2/4885POLB 4357/4885SMN1; SMN2 4400/4885

“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.