SCHEMBL6078129

SCHEMBL6078129

N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1Cc1ccccc1-n1cnnn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.60
ACE P12821 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TPH1 P17752 8/20 0.39
MASP2 O00187 1/20 0.38
KMT2A Q03164 1/20 0.37
F11 P03951 1/20 0.37

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
SCHEMBL7513994 1.00 F2 (0.60) F2ACENPSR1TPH1MASP2
Hydrochloric Acid SCHEMBL6077070 0.99 F2 (0.59) F2ACENPSR1TPH1MASP2
Hydrochloric Acid SCHEMBL6077536 0.90 F2 (0.60) F2MASP2F11
Hydrochloric Acid SCHEMBL6078422 0.90 F2 (0.60) F2MASP2F11
SCHEMBL6077640 0.87 F2 (0.48) F2MASP2KMT2A
Hydrochloric Acid SCHEMBL6079169 0.86 F2 (0.59) F2ACENPSR1TPH1
Trifluoroacetic Acid SCHEMBL6078441 0.81 ACE (0.47) F2ACE
SCHEMBL7513991 0.80 F2 (0.77) F2
SCHEMBL7514001 0.80 F2 (0.77) F2
SCHEMBL6078122 0.80 F2 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885ACE 687/4885NPSR1 309/4885

“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.