SCHEMBL759249

SCHEMBL759249

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
JAK2 O60674 9/20 0.42
JAK1 P23458 9/20 0.42
TSHR P16473 2/20 0.40
GRM5 P41594 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
STS P08842 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
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) POLBJAK2JAK1TSHRGRM5
SCHEMBL29814621 0.87 JAK2 (0.42) POLBJAK2JAK1TSHRGRM5
SCHEMBL22391949 0.87 JAK2 (0.42) POLBJAK2JAK1TSHRGRM5
SCHEMBL3561664 0.87 GPR119 (0.41) JAK2JAK1GRM5GPR119CYP11B2
SCHEMBL24265731 0.84 POLB (0.46) POLBTSHRGRM5ALOX15OPRD1
SCHEMBL29574116 0.84 POLB (0.46) POLBTSHRGRM5ALOX15OPRD1
SCHEMBL16220176 0.82 JAK2 (0.45) POLBJAK2JAK1MEN1KMT2A
SCHEMBL759250 0.82 CA12 (0.39) GRM5
SCHEMBL20266525 0.82 TSHR (0.48) POLBTSHRGRM5ALOX15OPRD1
SCHEMBL29555767 0.82 TSHR (0.48) POLBTSHRGRM5ALOX15OPRD1

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-2709451-B1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
EP-2709451-B1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
EP-2709451-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2014-03-26 EP disclosed
WO-2012158475-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 WO disclosed
WO-2012158475-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 WO disclosed
EP-1942733-B1 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-7834031-B2 Radiolabeled glycine transporter inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090269278-A1 Radiolabeled Glycine Trasporter Inhibitors MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
EP-1942733-A2 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007041025-A2 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-04-12 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-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 POLB 3173/4885JAK2 4820/4885JAK1 4677/4885
US-20090269278-A1 Radiolabeled Glycine Trasporter Inhibitors SLC6A5, SLC1A5, SLC1A3 POLB 4292/4885JAK2 4760/4885JAK1 4826/4885

“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.