SCHEMBL3662831

SCHEMBL3662831

Cc1cccnc1C1(CN)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
GPR119 Q8TDV5 4/20 0.45
DTYMK P23919 1/20 0.44
TACR1 P25103 1/20 0.42
NAMPT P43490 4/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CCR5 P51681 2/20 0.40
BTK Q06187 1/20 0.40
ACHE P22303 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
SCHEMBL4055955 0.91 POLB (0.47) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL2899666 0.89 POLB (0.47) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL3249336 0.83 POLB (0.52) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL3562470 0.83 OPRL1 (0.42) POLBOPRD1OPRK1
SCHEMBL3325436 0.83 GPR119 (0.50) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL5479635 0.82 POLB (0.51) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL3557560 0.81 POLB (0.47) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL22495695 0.80 POLB (0.47) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL3555626 0.80 POLB (0.48) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL22792894 0.80 POLB (0.48) POLBOPRD1OPRK1GPR119DTYMK

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 12 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-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
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
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 (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 POLB 3743/4885OPRD1 462/4885OPRK1 485/4885

“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.