SCHEMBL3557560

SCHEMBL3557560

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GPR119 Q8TDV5 3/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
DTYMK P23919 1/20 0.41
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
ATM Q13315 1/20 0.40
NAMPT P43490 2/20 0.39
BTK Q06187 1/20 0.39
GRM5 P41594 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
SCHEMBL3561235 0.83 PKLR (0.36) OPRD1OPRK1TSHR
SCHEMBL3249336 0.82 POLB (0.52) POLBGPR119OPRD1OPRK1TSHR
SCHEMBL5479635 0.81 POLB (0.51) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL3662831 0.81 POLB (0.48) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL4055955 0.79 POLB (0.47) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL3555626 0.79 POLB (0.48) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL22792894 0.79 POLB (0.48) POLBGPR119OPRD1OPRK1TSHR
SCHEMBL22495695 0.77 POLB (0.47) POLBGPR119OPRD1OPRK1TSHR
SCHEMBL7675883 0.76 OPRD1 (0.49) POLBGPR119OPRD1OPRK1TSHR
SCHEMBL3436213 0.76 POLB (0.50) POLBGPR119OPRD1OPRK1TSHR

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 9 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
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
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 3743/4885GPR119 415/4885OPRD1 462/4885

“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.