SCHEMBL2899666

SCHEMBL2899666

CC(C)(C)OC(=O)N1CCC(CN)(c2ncccc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
GRM5 P41594 2/20 0.44
GRM1 Q13255 2/20 0.44
TACR1 P25103 1/20 0.43
GPR119 Q8TDV5 6/20 0.43
DTYMK P23919 1/20 0.43
NAMPT P43490 1/20 0.41
KDM1A O60341 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
RORC P51449 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KDM1B Q8NB78 1/20 0.40
CCR5 P51681 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
SCHEMBL2904485 0.89 POLB (0.46) POLBOPRD1OPRK1GRM5GRM1
SCHEMBL3662831 0.89 POLB (0.48) POLBOPRD1OPRK1TACR1GPR119
SCHEMBL3792634 0.84 TRPV1 (0.54) POLBOPRD1OPRK1GRM5GRM1
SCHEMBL3787005 0.84 POLB (0.50) POLBOPRD1OPRK1GRM5GRM1
SCHEMBL3325436 0.83 GPR119 (0.50) POLBOPRD1OPRK1GRM5TACR1
SCHEMBL4055955 0.83 POLB (0.47) POLBOPRD1OPRK1TACR1GPR119
SCHEMBL3325729 0.82 TACR1 (0.48) OPRD1OPRK1TACR1GPR119KDM1A
SCHEMBL25232430 0.81 OPRD1 (0.50) OPRD1OPRK1GRM5KDM1A
SCHEMBL2950039 0.80 POLB (0.47) POLBOPRD1OPRK1GRM5GRM1
SCHEMBL31417126 0.79 JAK2 (0.48) OPRD1OPRK1TACR1GPR119NAMPT

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
EP-1831201-B1 PIPERIDINE AND AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME (GB) 2010-08-04 EP disclosed
US-7655644-B2 Piperidine and azetidine derivatives as GlyT1 inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-02-02 US disclosed
US-20080090796-A1 Piperidine And Azetidine Derivatives As Glyt1 Inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2008-04-17 US 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-20080090796-A1 Piperidine And Azetidine Derivatives As Glyt1 Inhibitors SLC6A7, SLC1A1, SLC1A2 POLB 4337/4885OPRD1 250/4885OPRK1 400/4885

“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.