SCHEMBL759250

SCHEMBL759250

N#CC1(c2cccc(Cl)n2)CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CHRM4 P08173 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
OPRM1 P35372 2/20 0.35
F11 P03951 4/20 0.35
DGAT2 Q96PD7 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKCA P17252 1/20 0.34
PTPN2 P17706 1/20 0.34
HTR7 P34969 1/20 0.34
TNF P01375 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3559807 0.84 CA12 (0.39) CA12CA1CA2CA9CA7
SCHEMBL3566914 0.84 CA12 (0.39) CA12CA1CA2CA9CA7
SCHEMBL23089175 0.84 CA12 (0.39) CA12CA1CA2CA9CA7
SCHEMBL759249 0.82 POLB (0.42) GRM5
SCHEMBL10125132 0.81 IDH1 (0.39) OPRM1DGAT2L3MBTL1CYP3A4
SCHEMBL30931073 0.81 IDH1 (0.39) OPRM1DGAT2L3MBTL1CYP3A4
SCHEMBL6884858 0.81 OPRM1 (0.52) OPRM1
SCHEMBL16212120 0.79 CA12 (0.34) CA12CA1CA2CA9CA7
SCHEMBL761722 0.78 PRKCA (0.51) CA12CA1CA2CA9CA7
SCHEMBL29705743 0.78 MBOAT4 (0.40) OPRM1L3MBTL1CYP3A4

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 8 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
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
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
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

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 CA12 4542/4885CA1 2874/4885CA2 4310/4885
US-20090269278-A1 Radiolabeled Glycine Trasporter Inhibitors SLC6A5, SLC1A5, SLC1A3 CA12 3482/4885CA1 2768/4885CA2 2465/4885

“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.