SCHEMBL6077720

SCHEMBL6077720

N[C@H](CC1CC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(F)ccc1-n1cncn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.50
P2RX7 Q99572 1/20 0.45
F12 P00748 2/20 0.39
DPP4 P27487 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNH2 Q12809 1/20 0.39
FAP Q12884 1/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
PDF Q9HBH1 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
SCHEMBL6077392 0.90 F2 (0.61) F2F12F10PRSS1PRSS2
SCHEMBL6079772 0.87 F2 (0.50) F2P2RX7F12ALDH1A1KCNH2
SCHEMBL6078507 0.84 P2RX7 (0.43) F2P2RX7ALDH1A1F10PRSS1
SCHEMBL6077615 0.79 F2 (0.60) F2F12ALDH1A1F10PRSS1
SCHEMBL6077730 0.79 F2 (0.39) F2DPP4ALDH1A1F10PRSS1
SCHEMBL6919688 0.79 F2 (0.52) F2DPP4F10PRSS1PRSS3
SCHEMBL6078134 0.79 F2 (0.78) F2F12F10PRSS1PRSS2
SCHEMBL6922167 0.78 F2 (0.52) F2F12DPP4F10PRSS1
SCHEMBL6078258 0.77 F2 (0.57) F2F12ALDH1A1F10PRSS1
Hydrochloric Acid SCHEMBL6079164 0.77 F2 (0.75) F2DPP4FAP

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 1/4885P2RX7 1957/4885F12 7/4885

“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.