SCHEMBL5735355

SCHEMBL5735355

CON=C1CCCCN1c1ccc(NC(=O)C(CC(C)C)Oc2ccc3ccnc(N)c3c2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CIT O14578 3/20 0.35
F9 P00740 4/20 0.34
F2 P00734 3/20 0.34
PRSS1 P07477 2/20 0.34
MAPT P10636 2/20 0.33
F10 P00742 1/20 0.33
MCHR1 Q99705 2/20 0.32
DOT1L Q8TEK3 1/20 0.32
PRMT7 Q9NVM4 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
KLKB1 P03952 1/20 0.32
F11 P03951 1/20 0.32

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
SCHEMBL5735353 1.00 CIT (0.35) CITF9F2PRSS1MAPT
SCHEMBL8365054 0.90 F9 (0.35) CITF9F2PRSS1MAPT
SCHEMBL5736556 0.90 F9 (0.35) CITF9F2PRSS1MAPT
SCHEMBL5737055 0.90 F9 (0.35) CITF9F2PRSS1MAPT
SCHEMBL5735613 0.90 F9 (0.35) CITF9F2PRSS1MAPT
SCHEMBL2073081 0.89 F10 (0.39) CITF9F2PRSS1F10
SCHEMBL5735438 0.88 DOT1L (0.37) CITF9F2PRSS1MAPT
SCHEMBL5735576 0.88 F9 (0.36) CITF9F2PRSS1MAPT
SCHEMBL5734348 0.88 F9 (0.36) CITF9F2PRSS1MAPT
SCHEMBL2071990 0.82 F9 (0.42) CITF9MAPTF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490056-B1 N-'4-(2-IMINO-PYRROLIDIN-1-YL)PHENYL)-ACETAMIDE AND CORRESPONDING PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2006-08-30 EP claimed
US-20050176760-A1 N-'4-(2-imino-pyrrolidin-1-yl)phenyl!-acetamide and corresponding piperidine derivatives as factor xa inhibitors for the treatment of thrombo-embolic diseases MERCK PATENT GMBH (DE) 2005-08-11 US claimed
EP-1490056-B1 N-'4-(2-IMINO-PYRROLIDIN-1-YL)PHENYL)-ACETAMIDE AND CORRESPONDING PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2006-08-30 EP disclosed
US-20050176760-A1 N-'4-(2-imino-pyrrolidin-1-yl)phenyl!-acetamide and corresponding piperidine derivatives as factor xa inhibitors for the treatment of thrombo-embolic diseases MERCK PATENT GMBH (DE) 2005-08-11 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-20050176760-A1 N-'4-(2-imino-pyrrolidin-1-yl)phenyl!-acetamide and corresponding piperidine derivatives as factor xa inhibitors for the treatment of thrombo-embolic diseases F11, PLAT, F12 CIT 3198/4885F9 15/4885F2 6/4885

“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.