SCHEMBL3561664

SCHEMBL3561664

CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(F)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
JAK2 O60674 14/20 0.40
JAK1 P23458 14/20 0.40
GRM5 P41594 1/20 0.40
CYP11B2 P19099 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
SCHEMBL3561044 0.88 GRM5 (0.50) GPR119JAK2JAK1GRM5CYP11B2
SCHEMBL759249 0.87 POLB (0.42) GPR119JAK2JAK1GRM5CYP11B2
SCHEMBL22391949 0.87 JAK2 (0.42) GPR119JAK2JAK1GRM5CYP11B2
SCHEMBL29814621 0.87 JAK2 (0.42) GPR119JAK2JAK1GRM5CYP11B2
SCHEMBL23660731 0.82 GPR119 (0.44) GPR119JAK2JAK1
SCHEMBL3559807 0.82 CA12 (0.39)
SCHEMBL30017613 0.82 JAK2 (0.50) GPR119JAK2JAK1GRM5
SCHEMBL760836 0.82 JAK2 (0.50) GPR119JAK2JAK1GRM5
SCHEMBL31417067 0.80 JAK2 (0.50) GPR119JAK2JAK1
SCHEMBL3565401 0.80 TACR1 (0.44) GPR119JAK2JAK1GRM5CYP11B2

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
EP-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 EP disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
EP-1729772-A4 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-05-27 EP disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
EP-1729772-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck and Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 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-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 GPR119 415/4885JAK2 2674/4885JAK1 3771/4885

“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.