SCHEMBL7922877

SCHEMBL7922877

CNC[C@H]1CC[C@H](N)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
SAT1 P21673 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL13213181 1.00 TDP1 (0.36) TDP1L3MBTL1SAT1SIGMAR1
SCHEMBL13165399 0.86 SAT1 (0.39) TDP1L3MBTL1SAT1SIGMAR1
SCHEMBL273581 0.86
SCHEMBL6019205 0.86 SAT1 (0.39) TDP1L3MBTL1SAT1SIGMAR1
SCHEMBL14639713 0.85
SCHEMBL12527756 0.85
Hydrochloric Acid SCHEMBL1165197 0.83
Hydrochloric Acid SCHEMBL23212665 0.80
SCHEMBL8888333 0.79 NCF1 (0.42) TDP1L3MBTL1SAT1SIGMAR1
SCHEMBL14416207 0.79 NCF1 (0.42) TDP1L3MBTL1SAT1SIGMAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434760-B2 Prolinamide derivatives as thrombin inhibitors, preparation method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-09-06 US disclosed
EP-2824097-A1 Prolinamide derivative as thrombin inhibitor, preparation method and application thereof Shanghai Institute of Pharmaceutical Industry (CN) 2015-01-14 EP disclosed
US-8865865-B2 N-terminally modified tetrapeptide derivatives having a C-terminal arginine mimetic PHILIPPS-UNIVERSITAT MARBURG (DE) 2014-10-21 US disclosed
EP-2349312-B1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS UNIVERSITÄT MARBURG (DE) 2014-06-04 EP disclosed
US-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-11-07 US disclosed
EP-2639230-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Pharmaceutical Industry (CN) 2013-09-18 EP disclosed
US-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-12-22 US disclosed
WO-2010048941-A2 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITÄT MARBURG (DE) 2010-05-06 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 (2 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-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF PREP, TFPI, PEPD TDP1 1287/4885L3MBTL1 4359/4885SAT1 2052/4885
US-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC FURIN, IAPP, APP TDP1 1089/4885L3MBTL1 349/4885SAT1 1684/4885

“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.