SCHEMBL15034112

SCHEMBL15034112

CC1(C)CN(C(=O)c2cc(C(F)(F)F)ccn2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
SLC6A7 Q99884 1/20 0.38
CNR1 P21554 1/20 0.37
CFTR P13569 1/20 0.36
SYK P43405 1/20 0.36
LMNA P02545 2/20 0.35
NPY5R Q15761 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
CCR1 P32246 1/20 0.34
GRM5 P41594 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL15034035 0.88 MGLL (0.46) MGLLMAPTPOLBCNR1LMNA
SCHEMBL15034033 0.86 MGLL (0.39) MGLLMAPTPOLBSLC6A7GRM5
SCHEMBL15034111 0.86 SLC6A7 (0.40) MGLLMAPTPOLBSLC6A7LMNA
SCHEMBL15034064 0.86 CCKAR (0.41) MGLLMAPTPOLBSLC6A7CFTR
SCHEMBL15034049 0.86 MGLL (0.42) MGLLMAPTPOLBSLC6A7TSHR
SCHEMBL15034106 0.85 MGLL (0.39) MGLLMAPTPOLBSLC6A7CNR1
SCHEMBL15034073 0.84 MGLL (0.38) MGLLMAPTPOLBSLC6A7CNR1
SCHEMBL15019972 0.82 SLC6A7 (0.43) MGLLSLC6A7LMNATSHRGRM5
SCHEMBL15034057 0.82 DRD3 (0.40) MGLLMAPTPOLBSLC6A7CFTR
SCHEMBL15034076 0.82 SLC6A7 (0.39) MGLLMAPTPOLBSLC6A7CFTR

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 2123/4885MAPT 270/4885POLB 4052/4885

“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.