SCHEMBL3637669

SCHEMBL3637669

C1CC(NCCN2CCOCC2)CC[N]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.44
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
VCP P55072 1/20 0.39
EPHX1 P07099 1/20 0.38
GAA P10253 1/20 0.38
SMYD3 Q9H7B4 2/20 0.38
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL45801 0.87 RAD52 (0.50) RAD52JAK2JAK1CA12CA1
Hydrochloric Acid SCHEMBL2730502 0.85 RAD52 (0.49) RAD52JAK2JAK1CA12CA1
SCHEMBL1321471 0.82 RAD52 (0.64) RAD52CA12CA1CA2CA9
SCHEMBL18909362 0.78 CA12 (0.44) RAD52CA12CA1CA2CA9
SCHEMBL3585953 0.77 RAD52 (0.51) RAD52JAK2JAK1CA12CA1
SCHEMBL7511582 0.77 RAD52 (0.61) RAD52EPHX1GAA
SCHEMBL24068189 0.76 VCP (0.42) RAD52JAK2JAK1CA12CA1
SCHEMBL6977228 0.75 HPGD (0.51) VCPEPHX1GAAHPGDDUSP3
SCHEMBL6975115 0.74 GAA (0.60) RAD52VCPEPHX1GAAHPGD
SCHEMBL7513025 0.74 HPGD (0.46) VCPEPHX1GAAHPGDDUSP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US claimed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
EP-2162136-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-03-17 EP disclosed
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 RAD52 4867/4885JAK2 1095/4885JAK1 1134/4885

“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.