SCHEMBL6920901

SCHEMBL6920901

NCc1ccc(Cl)cc1CN1CCC[C@H]1C(=O)NC(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.50
F10 P00742 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44

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
Hydrochloric Acid SCHEMBL6919984 0.99 F2 (0.51) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6926922 0.92 F2 (0.50) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6925104 0.85 ACE (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL7102501 0.85 F2 (0.49) F2
SCHEMBL7101554 0.83 F2 (0.48) F2
SCHEMBL6078139 0.83 F2 (0.61) F2F10PRSS1PRSS2PRSS3
SCHEMBL7372916 0.83 F2 (0.54) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6077536 0.82 F2 (0.60) F2
Hydrochloric Acid SCHEMBL6078422 0.82 F2 (0.60) F2
SCHEMBL7379487 0.82 F2 (0.54) F2F10PRSS1PRSS2PRSS3

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 F2 2/4885F10 22/4885PRSS1 116/4885

“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.