SCHEMBL15034170

SCHEMBL15034170

CC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.42
TP53 P04637 5/20 0.42
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
GRM5 P41594 1/20 0.39
CFTR P13569 1/20 0.39
SLC6A7 Q99884 1/20 0.38
CHRM5 P08912 1/20 0.36
ENPP2 Q13822 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15034146 0.94 MAPT (0.39) MAPTTP53POLBSMN1; SMN2GRM5
SCHEMBL15020006 0.92 ALDH1A1 (0.44) MAPTTP53POLBSMN1; SMN2GRM5
SCHEMBL15034141 0.92 SMN1; SMN2 (0.46) MAPTTP53POLBSMN1; SMN2CFTR
SCHEMBL15034162 0.91 CYP3A4 (0.45) MAPTTP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL15034134 0.90 CFTR (0.44) MAPTTP53POLBSMN1; SMN2CFTR
SCHEMBL15034186 0.90 MAPT (0.43) MAPTTP53POLBSMN1; SMN2GRM5
SCHEMBL15034135 0.89 MAPT (0.49) MAPTTP53POLBSMN1; SMN2CFTR
SCHEMBL15019972 0.88 SLC6A7 (0.43) SMN1; SMN2GRM5SLC6A7ALDH1A1HPGD
SCHEMBL15034168 0.88 MAPT (0.41) MAPTTP53POLBSMN1; SMN2
SCHEMBL15034094 0.86 SLC6A7 (0.42) MAPTTP53POLBSMN1; SMN2GRM5

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 MAPT 270/4885TP53 3722/4885POLB 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.