SCHEMBL15023697

SCHEMBL15023697

COc1ccnc(N2CCN(C(=O)Cc3nc(-c4ccc(F)cc4)cn3-c3ccc(F)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
MAPK10 P53779 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RET P07949 1/20 0.40

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
SCHEMBL15034526 0.98 GRM5 (0.52) GRM5L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL15034518 0.97 GRM5 (0.53) GRM5L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL15034555 0.93 GRM5 (0.54) GRM5L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL15034544 0.93 GRM5 (0.64) GRM5L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL15034538 0.91 GRM5 (0.55) GRM5L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL15034548 0.90 GRM5 (0.55) GRM5L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL15034527 0.88 HSD17B10 (0.59) GRM5L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL15034528 0.87 L3MBTL1 (0.48) GRM5L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL15034562 0.86 GRM5 (0.71) GRM5L3MBTL1ALDH1A1HPGDNPSR1
SCHEMBL15034515 0.86 L3MBTL1 (0.43) GRM5L3MBTL1MAPTALDH1A1MAPK1

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 1/4885L3MBTL1 3435/4885MAPT 281/4885

“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.