SCHEMBL4724874

SCHEMBL4724874

NC(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.46
KCNH2 Q12809 1/20 0.44
F10 P00742 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
BCHE P06276 1/20 0.39
OPRK1 P41145 1/20 0.39
LMNA P02545 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
SCHEMBL4719524 1.00 HRH3 (0.46) HRH3KCNH2F10POLBL3MBTL1
SCHEMBL4721649 0.81 OPRK1 (0.41) POLBL3MBTL1ALDH1A1MAPK1OPRK1
SCHEMBL4723862 0.76 SMN1; SMN2 (0.49) ALDH1A1MAPK1LMNA
SCHEMBL3744981 0.75 HRH3 (0.55) HRH3KCNH2
SCHEMBL27580572 0.71 HRH3 (0.63) HRH3KCNH2POLBL3MBTL1
SCHEMBL27934233 0.71 HRH3 (0.63) HRH3KCNH2POLBL3MBTL1
SCHEMBL14186217 0.70 HRH3 (0.57) HRH3KCNH2
SCHEMBL5403401 0.70 HRH3 (0.56) HRH3KCNH2
SCHEMBL3599954 0.70 HRH3 (0.56) HRH3KCNH2
SCHEMBL3599949 0.70 HRH3 (0.56) HRH3KCNH2

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 HRH3 1036/4885KCNH2 2308/4885F10 24/4885

“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.