SCHEMBL15024313

SCHEMBL15024313

CC(=O)Nc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccc(F)cc3)nc1-c1ccc(F)cc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.56
SLC27A1 Q6PCB7 6/20 0.42
MAPT P10636 3/20 0.39
PIK3CG P48736 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
GRIN2B Q13224 2/20 0.37

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
SCHEMBL15026728 0.91 GRM5 (0.46) GRM5SLC27A1MAPTNPC1ALDH1A1
SCHEMBL15024355 0.87 GRM5 (0.53) GRM5ALDH1A1LMNARAB9AKMT2A
SCHEMBL15024242 0.87 GRM5 (0.73) GRM5MAPTPIK3CGALDH1A1RAB9A
SCHEMBL15024314 0.85 GRM5 (0.42) GRM5SLC27A1MAPTNPC1ALDH1A1
SCHEMBL15024393 0.85 GRM5 (0.43) GRM5ALDH1A1LMNARAB9AKMT2A
SCHEMBL15024458 0.85 GRM5 (0.45) GRM5NPC1ALDH1A1LMNARAB9A
SCHEMBL15007065 0.84 GRM5 (0.53) GRM5MAPTALDH1A1LMNARAB9A
SCHEMBL15024344 0.84 PIK3CG (0.45) GRM5SLC27A1MAPTPIK3CGNPC1
SCHEMBL15024255 0.84 GRM5 (0.42) GRM5MAPTALDH1A1LMNATDP1
SCHEMBL15007038 0.84 GRM5 (0.42) GRM5MAPTALDH1A1LMNARAB9A

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-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150341-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885SLC27A1 1063/4885MAPT 271/4885

“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.