SCHEMBL5735280

SCHEMBL5735280

CC(C)C[C@H](Oc1ccc2ccnc(N)c2c1)C(=O)Nc1ccc(N2CCCCC2=N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.37
F2 P00734 5/20 0.35
CIT O14578 3/20 0.35
PRSS1 P07477 2/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 2/20 0.35
ALOX15 P16050 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NR4A1 P22736 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
F10 P00742 3/20 0.34
F11 P03951 3/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL5736236 1.00 F9 (0.37) F9F2CITPRSS1MAPT
SCHEMBL5736184 0.98 F9 (0.38) F9F2CITPRSS1MAPT
SCHEMBL2072663 0.91 F10 (0.41) F9F2MAPTSMN1; SMN2F10
SCHEMBL5735438 0.89 DOT1L (0.37) F9F2CITPRSS1MAPT
SCHEMBL8365054 0.88 F9 (0.35) F9F2CITPRSS1MAPT
SCHEMBL5737055 0.88 F9 (0.35) F9F2CITPRSS1MAPT
SCHEMBL5736556 0.88 F9 (0.35) F9F2CITPRSS1MAPT
SCHEMBL5735613 0.88 F9 (0.35) F9F2CITPRSS1MAPT
SCHEMBL2073595 0.86 F9 (0.39) F9F2CITPRSS1F10
SCHEMBL5735576 0.85 F9 (0.36) F9F2CITPRSS1MAPT

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 6 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 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
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US disclosed
EP-1490056-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) 2004-12-29 EP disclosed
WO-2003084533-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) 2003-10-16 WO disclosed
WO-2003084533-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) 2003-10-16 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-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 6/4885CIT 3198/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 F9 3319/4885F2 2627/4885CIT 97/4885

“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.