SCHEMBL6926519

SCHEMBL6926519

NC(=O)[C@@H]1CCC[N+]1(Cc1cc(Cl)ccc1C(N)C(F)F)C(=O)[C@H](O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.35
F2 P00734 1/20 0.35
EPHX1 P07099 2/20 0.33
METAP1 P53582 2/20 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
SCHEMBL6927275 0.90 METAP2 (0.36) METAP2F2EPHX1METAP1
SCHEMBL6926324 0.89 F2 (0.36) METAP2F2EPHX1METAP1
SCHEMBL6926522 0.84 F2 (0.47) METAP2F2EPHX1METAP1
SCHEMBL6924571 0.80 TP53 (0.34) METAP2F2
SCHEMBL7594538 0.79 METAP2 (0.35) METAP2F2EPHX1METAP1
SCHEMBL6927350 0.77 F2 (0.41) METAP2F2EPHX1METAP1
SCHEMBL6925791 0.76 F2 (0.40) METAP2F2METAP1
SCHEMBL6921549 0.74 METAP2 (0.34) METAP2F2EPHX1METAP1
SCHEMBL6924396 0.73 CXCR3 (0.36) METAP2F2EPHX1METAP1
SCHEMBL6078119 0.72 EPHX1 (0.34) METAP2EPHX1

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 METAP2 1075/4885F2 2/4885EPHX1 943/4885

“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.