SCHEMBL4723863

SCHEMBL4723863

NCC1CCN(C(=O)C(=O)N2CCCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
NCF1 P14598 1/20 0.36
HPGD P15428 1/20 0.35
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
TPSAB1 Q15661 3/20 0.33
TPSD1 Q9BZJ3 3/20 0.33
TPSG1 Q9NRR2 3/20 0.33
TACR3 P29371 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BIRC2 Q13490 1/20 0.33
CYP2D6 P10635 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL3155411 0.79 PLG (0.42) CHRM2CHRM1CHRM3NCF1PLG
SCHEMBL2337249 0.79 PLG (0.42) CHRM2CHRM1CHRM3NCF1PLG
SCHEMBL790440 0.79 PLG (0.42) CHRM2CHRM1CHRM3NCF1PLG
SCHEMBL21101100 0.79 ALDH1A1 (0.50) CHRM2CHRM1CHRM3NCF1HPGD
SCHEMBL4721653 0.77 CHRM2 (0.36) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL25287438 0.77 PLG (0.41) CHRM2CHRM1CHRM3NCF1PLG
SCHEMBL12507060 0.77 NCF1 (0.43) CHRM2CHRM1CHRM3NCF1PLG
Hydrochloric Acid SCHEMBL25248778 0.77 PLG (0.41) CHRM2CHRM1CHRM3NCF1PLG
SCHEMBL864289 0.77 NCF1 (0.43) CHRM2CHRM1CHRM3NCF1PLG
SCHEMBL864290 0.77 NCF1 (0.43) CHRM2CHRM1CHRM3NCF1PLG

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 CHRM2 4533/4885CHRM1 4108/4885CHRM3 4527/4885

“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.