SCHEMBL4724682

SCHEMBL4724682

NC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HPGD P15428 2/20 0.59
TSHR P16473 1/20 0.59
ACHE P22303 1/20 0.55
EPHX2 P34913 1/20 0.54
MGLL Q99685 1/20 0.53
HSD11B1 P28845 1/20 0.53
FASN P49327 1/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GLA P06280 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.52
RIPK1 Q13546 1/20 0.52

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
SCHEMBL3284280 0.91 SMN1; SMN2 (0.68) SMN1; SMN2HTTMEN1KMT2AHPGD
SCHEMBL16695142 0.91 SMN1; SMN2 (0.68) SMN1; SMN2HTTMEN1KMT2AHPGD
SCHEMBL9029952 0.88 SMN1; SMN2 (0.82) SMN1; SMN2HTTMEN1KMT2AACHE
SCHEMBL22622323 0.83 GLA (0.70) SMN1; SMN2HTTMEN1KMT2AHPGD
SCHEMBL3319143 0.82 HSD17B10 (0.74) SMN1; SMN2HTTHPGDGLAHSD17B10
SCHEMBL3319140 0.82 HSD17B10 (0.74) SMN1; SMN2HTTHPGDGLAHSD17B10
SCHEMBL4724686 0.82 KMT2A (0.55) SMN1; SMN2MEN1KMT2AHPGDTSHR
SCHEMBL27812707 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HTTHPGDACHEGLA
SCHEMBL22622475 0.81 GLA (0.72) SMN1; SMN2HTTMEN1KMT2AHPGD
SCHEMBL16695294 0.79 ACHE (0.60) SMN1; SMN2MEN1KMT2AHPGDACHE

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 5 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
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 SMN1; SMN2 3597/4885HTT 2142/4885MEN1 3294/4885

“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.