SCHEMBL15023595

SCHEMBL15023595

O=C(Cc1nc(-c2ccccc2)cn1-c1ccccc1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.56
KDM4E B2RXH2 4/20 0.50
SLC6A7 Q99884 4/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.46
DGAT1 O75907 1/20 0.46
HTR7 P34969 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL15034512 0.93 GRM5 (0.64) GRM5KDM4ESLC6A7TSHRALDH1A1
SCHEMBL15034550 0.90 RAB9A (0.54) GRM5KDM4ESLC6A7TSHRALDH1A1
SCHEMBL15034510 0.89 GRM5 (0.60) GRM5KDM4ESLC6A7TSHRALDH1A1
SCHEMBL15034561 0.86 GRM5 (0.67) GRM5KDM4ELMNA
SCHEMBL15034511 0.86 SLC6A7 (0.54) GRM5KDM4ESLC6A7ALDH1A1HTT
SCHEMBL15034517 0.84 GRM5 (0.58) GRM5KDM4ESLC6A7TSHRALDH1A1
SCHEMBL15034552 0.83 GRM5 (0.53) GRM5KDM4ESLC6A7ALDH1A1LMNA
SCHEMBL15034549 0.83 GRM5 (0.47) GRM5KDM4ESLC6A7ALDH1A1LMNA
SCHEMBL15034523 0.82 GRM5 (0.53) GRM5SLC6A7ALDH1A1MAPTHSD17B10
SCHEMBL15034551 0.81 GRM5 (0.51) GRM5KDM4ESLC6A7ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791118-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158038-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-20130158038-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 GRM5 1/4885KDM4E 1915/4885SLC6A7 1370/4885

“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.