SCHEMBL6926330

SCHEMBL6926330

NCc1ccc(Cl)cc1C[N+]1(C(=O)C(O)(c2ccccc2)c2ccc(C(=O)O)cc2)CCC[C@H]1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.44
F11 P03951 1/20 0.31
KLK1 P06870 1/20 0.31
F10 P00742 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
CHRM2 P08172 5/20 0.30
CHRM3 P20309 4/20 0.30
LMNA P02545 2/20 0.30
CYP2D6 P10635 2/20 0.30
KCNH2 Q12809 2/20 0.30
CHRM1 P11229 1/20 0.30
HRH1 P35367 1/20 0.30
F12 P00748 1/20 0.30
F7 P08709 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC6A4 P31645 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
SCHEMBL6924250 0.95 F2 (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL6926517 0.86 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924800 0.84 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924958 0.80 F2 (0.39) F2F11
SCHEMBL6924463 0.80 F2 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924376 0.79 F2 (0.41) F2
SCHEMBL6925131 0.79 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924535 0.77 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6927671 0.76 F2 (0.37) F2F10PRSS1
SCHEMBL6927249 0.76 F2 (0.36) 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 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 2/4885F11 9/4885KLK1 470/4885

“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.