SCHEMBL6079774

SCHEMBL6079774

N[C@H](CC1CC1)C(=O)NC(=O)[C@@H]1CCCN1Cc1cc(F)ccc1-n1cnnn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.39
F11 P03951 3/20 0.37
PRSS1 P07477 2/20 0.37
KLKB1 P03952 2/20 0.37
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
PLAT P00750 1/20 0.37
F7 P08709 1/20 0.37
TBXA2R P21731 1/20 0.37
PRSS3 P35030 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.35
CTSD P07339 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6078379 0.87 F2 (0.47) F2F11PRSS1KLKB1F9
SCHEMBL6077730 0.87 F2 (0.39) F2PRSS1F10PLATPRSS3
SCHEMBL6077640 0.85 F2 (0.48) F2PRSS1F10MEN1KMT2A
SCHEMBL6077686 0.82 MAOA (0.45) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6077923 0.80 PTGER4 (0.38) F2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6079198 0.79 F2 (0.47) F2F11PRSS1KLKB1F9
SCHEMBL6079120 0.79 F11 (0.42) F2F11TSHRKLK1
SCHEMBL6078466 0.79 CYP3A4 (0.45) F2F11PRSS1KLKB1F9
SCHEMBL6079772 0.79 F2 (0.50) F2F11PRSS1KLKB1F9
Hydrochloric Acid SCHEMBL6077536 0.78 F2 (0.60) F2F11KLKB1F9CYP3A4

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 1/4885F11 2/4885PRSS1 106/4885

“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.