SCHEMBL6924571

SCHEMBL6924571

CC(NC(=O)OC(C)(C)C)c1ccc(Cl)cc1C[N+]1(C(=O)[C@H](O)C2CCCCC2)CCC[C@H]1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNA1B Q00975 1/20 0.34
F2 P00734 1/20 0.33
RAB9A P51151 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
METAP2 P50579 2/20 0.31
PTGER1 P34995 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL6925791 0.86 F2 (0.40) F2METAP2
SCHEMBL6927275 0.85 METAP2 (0.36) TP53F2RAB9AMETAP2LMNA
SCHEMBL6926324 0.81 F2 (0.36) F2METAP2
SCHEMBL6926519 0.80 METAP2 (0.35) F2METAP2
SCHEMBL6926522 0.78 F2 (0.47) F2METAP2
SCHEMBL6078328 0.77 AAK1 (0.34) TP53SMN1; SMN2CACNA1BAAK1
SCHEMBL6929082 0.76 F2 (0.40) F2
SCHEMBL6077903 0.76 AAK1 (0.33) TP53SMN1; SMN2CACNA1BAAK1
SCHEMBL6078138 0.76 AAK1 (0.33) CACNA1BAAK1
SCHEMBL6923429 0.75 F2 (0.41) F2

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 3 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
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI TP53 4690/4885SMN1; SMN2 4400/4885CACNA1B 2357/4885

“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.