SCHEMBL4723259

SCHEMBL4723259

NC(=O)C1[CH]CCN1C(=O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.46
ITGB3 P05106 10/20 0.42
ITGA2B P08514 10/20 0.42
F10 P00742 2/20 0.40
CYP3A4 P08684 1/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2780304 0.79 CYP3A4 (0.54) LSSITGB3ITGA2BF10CYP3A4
SCHEMBL3430323 0.79 MAPT (0.38) CYP3A4KDM4EABL1LMNA
SCHEMBL14949547 0.79 MAPT (0.38) CYP3A4KDM4EABL1LMNA
SCHEMBL6370587 0.79 LSS (0.46) LSSITGB3ITGA2BF10CYP3A4
SCHEMBL4721762 0.75 LSS (0.54) LSSITGB3ITGA2BF10
SCHEMBL4721161 0.75 LSS (0.54) LSSITGB3ITGA2BF10
SCHEMBL6370590 0.73 LSS (0.46) LSSITGB3ITGA2BF10
SCHEMBL742952 0.72 ITGB3 (0.60) LSSITGB3ITGA2BKDM4ELMNA
SCHEMBL16887557 0.70 CYP2C9 (0.53) LSSITGB3ITGA2BF10CYP3A4
Hydrochloric Acid SCHEMBL3319271 0.70 ITGB3 (0.59) LSSITGB3ITGA2BKDM4ELMNA

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
EP-1684744-A4 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP claimed
EP-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP claimed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US claimed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
EP-1684744-A4 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP disclosed
EP-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US disclosed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 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 (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-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 LSS 2166/4885ITGB3 4003/4885ITGA2B 3663/4885

“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.