SCHEMBL5734348

SCHEMBL5734348

CON=C1CCCN1c1ccc(NC(=O)C(CC(C)C)Oc2ccc3ccnc(N)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 4/20 0.36
F2 P00734 3/20 0.34
PRSS1 P07477 2/20 0.34
CIT O14578 4/20 0.34
F10 P00742 3/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 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
SCHEMBL5735576 1.00 F9 (0.36) F9F2PRSS1CITF10
SCHEMBL5735613 0.98 F9 (0.35) F9F2PRSS1CITF10
SCHEMBL5737055 0.98 F9 (0.35) F9F2PRSS1CITF10
SCHEMBL5736556 0.98 F9 (0.35) F9F2PRSS1CITF10
SCHEMBL8365054 0.98 F9 (0.35) F9F2PRSS1CITF10
SCHEMBL5735355 0.88 CIT (0.35) F9F2PRSS1CITF10
SCHEMBL5735353 0.88 CIT (0.35) F9F2PRSS1CITF10
SCHEMBL5736184 0.88 F9 (0.38) F9F2PRSS1CITF10
SCHEMBL2072663 0.86 F10 (0.41) F9F2F10MAPTSMN1; SMN2
SCHEMBL5736236 0.85 F9 (0.37) F9F2PRSS1CITF10

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 F9 15/4885F2 6/4885PRSS1 201/4885

“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.