SCHEMBL6079772

SCHEMBL6079772

N[C@H](CC1CC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(F)ccc1-n1cnnn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.50
PRSS1 P07477 2/20 0.48
F9 P00740 1/20 0.48
F10 P00742 1/20 0.48
PLAT P00750 1/20 0.48
F11 P03951 1/20 0.48
KLKB1 P03952 1/20 0.48
F7 P08709 1/20 0.48
TBXA2R P21731 1/20 0.48
PRSS3 P35030 1/20 0.48
P2RX7 Q99572 1/20 0.45
CYP3A4 P08684 6/20 0.44
KCNH2 Q12809 3/20 0.44
F12 P00748 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6078374 0.87 F2 (0.60) F2PRSS1F9F10PLAT
SCHEMBL6077720 0.87 F2 (0.50) F2PRSS1F10PRSS3P2RX7
SCHEMBL6077633 0.85 F2 (0.59) F2CYP3A4F12MEN1KMT2A
SCHEMBL6077921 0.80 F2 (0.48) F2PRSS1F9F10PLAT
SCHEMBL6079191 0.79 F2 (0.60) F2PRSS1F9F10PLAT
SCHEMBL6079110 0.79 F2 (0.51) F2PRSS1F10F7PRSS3
SCHEMBL6079774 0.79 F2 (0.39) F2PRSS1F9F10PLAT
Hydrochloric Acid SCHEMBL6077531 0.78 F2 (0.77) F2PRSS1F9F10PLAT
Hydrochloric Acid SCHEMBL6078418 0.78 F2 (0.77) F2PRSS1F9F10PLAT
Hydrochloric Acid SCHEMBL6078427 0.78 F2 (0.77) F2PRSS1F9F10PLAT

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-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
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885PRSS1 106/4885F9 12/4885

“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.