SCHEMBL1286879

SCHEMBL1286879

C=CCOC(=O)N1CCCC(N)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
ERN1 O75460 5/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
NR1D1 P20393 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CHRM1 P11229 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
F2R P25116 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
SCHEMBL2087756 0.91 GAA (0.38) PARP1LMNAMAPK1RAB9AGPR119
SCHEMBL2932359 0.91 GAA (0.38) PARP1LMNAMAPK1RAB9AGPR119
Trifluoroacetic Acid SCHEMBL6955197 0.82 LMNA (0.40) PARP1LMNAMAPK1RAB9AGPR119
SCHEMBL3467786 0.81 GAA (0.51) GAAALDH1A1CHRM1
SCHEMBL27971402 0.81 GAA (0.51) GAAALDH1A1CHRM1
SCHEMBL19211629 0.81 GAA (0.44) LMNAMAPK1RAB9AGPR119ERN1
SCHEMBL5139985 0.81 EPHX2 (0.40) PARP1LMNAMAPK1RAB9ANR1D1
SCHEMBL10689326 0.81 PARP1 (0.46) PARP1RAB9AALDH1A1ITGB3ITGA2B
SCHEMBL18933227 0.80 CHRM4 (0.38) GAAALDH1A1CHRM1ITGB3ITGA2B
SCHEMBL4195614 0.78 LMNA (0.46) LMNAMAPK1RAB9AGPR119ERN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088791-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2012-04-12 US disclosed
EP-2398320-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME Vanderbilt University (US) 2011-12-28 EP disclosed
WO-2010096703-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-08-26 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-20120088791-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME CHRM1, CHRM5, CHRM2 PARP1 2822/4885LMNA 3600/4885MAPK1 1034/4885

“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.