SCHEMBL4723862

SCHEMBL4723862

NC(=O)C1CCN(C(=O)C(=O)N2CCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3938968 0.79 GAA (0.48) SMN1; SMN2ALDH1A1MAPK1LMNAHSD17B10
SCHEMBL2503145 0.78 GAA (0.47) SMN1; SMN2ALDH1A1MAPK1LMNAHSD17B10
SCHEMBL30793930 0.77 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPK1LMNAHPGD
SCHEMBL4724874 0.76 HRH3 (0.46) ALDH1A1MAPK1LMNA
SCHEMBL4719524 0.76 HRH3 (0.46) ALDH1A1MAPK1LMNA
SCHEMBL22622475 0.76 GLA (0.72) SMN1; SMN2ALDH1A1HPGDHSD17B10GLA
SCHEMBL1595209 0.76 ALDH1A1 (0.58) ALDH1A1MAPK1LMNAHPGDHSD17B10
SCHEMBL7362051 0.76 ALDH1A1 (0.58) ALDH1A1MAPK1LMNAHPGDHSD17B10
SCHEMBL2350150 0.76 GAA (0.50) SMN1; SMN2ALDH1A1MAPK1LMNAHSD17B10
SCHEMBL20827449 0.75 LMNA (0.48) SMN1; SMN2ALDH1A1LMNAHPGDHSD17B10

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
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US 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
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 SMN1; SMN2 3597/4885ALDH1A1 2675/4885MAPK1 2748/4885

“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.