SCHEMBL4723261

SCHEMBL4723261

NC1CCN(C(=O)C2CCN(c3ccncc3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.54
ITGB3 P05106 5/20 0.52
ITGA2B P08514 5/20 0.52
F10 P00742 10/20 0.49

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
Hydrochloric Acid SCHEMBL6792040 0.99 LSS (0.53) LSSITGB3ITGA2BF10
SCHEMBL4721762 0.86 LSS (0.54) LSSITGB3ITGA2BF10
SCHEMBL4721161 0.86 LSS (0.54) LSSITGB3ITGA2BF10
SCHEMBL4721763 0.83 F10 (0.56) LSSITGB3ITGA2BF10
SCHEMBL4721163 0.83 F10 (0.56) LSSITGB3ITGA2BF10
SCHEMBL6184503 0.79 LSS (0.55) LSSITGB3ITGA2BF10
SCHEMBL6787504 0.78 LSS (0.51) LSSITGB3ITGA2BF10
SCHEMBL6179989 0.78 LSS (0.59) LSSITGB3ITGA2BF10
SCHEMBL14275562 0.77 CHKA (0.50)
SCHEMBL223203 0.77 CHKA (0.59) LSSITGB3ITGA2B

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 9 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
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.