SCHEMBL15034154

SCHEMBL15034154

CC1(C)CN(C(=O)c2cccc(C3CCC3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.39
CNR2 P34972 4/20 0.36
CFTR P13569 1/20 0.36
MAPT P10636 4/20 0.35
USP30 Q70CQ3 1/20 0.34
TP53 P04637 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACKR3 P25106 2/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL15034224 0.96 CFTR (0.36) MGLLCNR2CFTRMAPTUSP30
SCHEMBL15020523 0.90 MGLL (0.41) MGLLCNR2MAPTPDE2A
SCHEMBL15034216 0.88 SMN1; SMN2 (0.38) MGLLCFTRMAPTTP53IRAK4
SCHEMBL15034038 0.88 MGLL (0.40) MGLLCNR2CFTRMAPTIRAK4
SCHEMBL15034354 0.88 MGLL (0.39) MGLLCFTRMAPTUSP30TP53
SCHEMBL15034230 0.87 MGLL (0.39) MGLLCNR2CFTRMAPTIRAK4
SCHEMBL15034145 0.86 MAPT (0.40) MGLLCFTRMAPTUSP30TP53
SCHEMBL15020153 0.85 MGLL (0.38) MGLLCNR2MAPT
SCHEMBL15034172 0.84 HPGD (0.40) MGLLCFTRMAPTTP53SMN1; SMN2
SCHEMBL15034128 0.83 CFTR (0.42) MGLLCFTRMAPTTP53IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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 (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-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 MGLL 2123/4885CNR2 132/4885CFTR 3753/4885

“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.