SCHEMBL3051647

SCHEMBL3051647

CC(C)(C)OC(=O)N1CCC(C#N)(c2ncccc2Br)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GPR119 Q8TDV5 5/20 0.43
DTYMK P23919 1/20 0.43
JAK2 O60674 6/20 0.42
JAK1 P23458 6/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
GRM5 P41594 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
NAMPT P43490 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
SCHEMBL3555626 0.89 POLB (0.48) POLBGPR119DTYMKJAK2JAK1
SCHEMBL3563403 0.87 POLB (0.47) POLBGPR119DTYMKJAK2JAK1
SCHEMBL2950039 0.87 POLB (0.47) POLBGPR119DTYMKJAK2JAK1
SCHEMBL3562520 0.85 POLB (0.45) POLBGPR119DTYMKJAK2JAK1
SCHEMBL22770430 0.85 POLB (0.47) POLBGPR119DTYMKJAK2JAK1
SCHEMBL30341598 0.85 POLB (0.47) POLBGPR119DTYMKJAK2JAK1
SCHEMBL22770364 0.83 POLB (0.47) POLBGPR119DTYMKJAK2JAK1
SCHEMBL3563606 0.83 CA12 (0.40)
SCHEMBL4058633 0.83 JAK2 (0.43) POLBGPR119DTYMKJAK2JAK1
SCHEMBL4362609 0.82 GPR119 (0.44) GPR119JAK2JAK1OPRD1OPRK1

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 16 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
EP-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 EP disclosed
US-8258135-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-09-04 US disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
US-20100222355-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
EP-2212322-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2010-08-04 EP disclosed
EP-1729772-A4 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-05-27 EP disclosed
WO-2009051715-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-04-23 WO disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US 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
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 (2 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-20100222355-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, OPRL1 POLB 3522/4885GPR119 87/4885DTYMK 4362/4885
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 POLB 3743/4885GPR119 415/4885DTYMK 2105/4885

“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.