SCHEMBL527575

SCHEMBL527575

COC(=O)C1CN(C(=O)O)CCC1c1ccc(C)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.50
SLC6A4 P31645 7/20 0.50
SLC6A3 Q01959 7/20 0.50
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
ITGA5 P08648 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
CHRND Q07001 1/20 0.49

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
SCHEMBL14920157 0.91 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL528179 0.86 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
SCHEMBL14920513 0.84 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL534911 0.81 ALDH1A1 (0.47) SLC6A3
SCHEMBL14920936 0.80 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL20065148 0.78 SLC6A3 (0.59) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL16108740 0.77 PDE4B (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL16108739 0.77 PDE4B (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL14920291 0.76 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL14920294 0.76 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
EP-2598497-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2013-06-05 EP disclosed
WO-2012016001-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2012-02-02 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 (3 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-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA SLC6A2 3922/4885SLC6A4 4662/4885SLC6A3 4371/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA SLC6A2 3922/4885SLC6A4 4662/4885SLC6A3 4371/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA SLC6A2 3922/4885SLC6A4 4662/4885SLC6A3 4371/4885

“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.