SCHEMBL5113223

SCHEMBL5113223

FC(F)(F)c1cccc(-n2ccc(-c3ccccn3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.62
NOTUM Q6P988 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LRRK2 Q5S007 1/20 0.42
TGFBR1 P36897 1/20 0.41
PHGDH O43175 1/20 0.41
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.40
CBFB Q13951 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.39

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
Hydrochloric Acid SCHEMBL5113058 0.99 GRM5 (0.60) GRM5NOTUMALDH1A1MEN1LMNA
SCHEMBL5100815 0.80 GRM5 (0.66) GRM5TGFBR1KCNH2
Hydrochloric Acid SCHEMBL5103873 0.78 GRM5 (0.64) GRM5TGFBR1KCNH2
SCHEMBL5100415 0.77 GRM5 (0.63) GRM5NOTUMMEN1LMNAGAA
SCHEMBL29979429 0.77 TGFBR1 (0.60) GRM5ALDH1A1MEN1LMNAGAA
SCHEMBL4025464 0.77 TGFBR1 (0.60) GRM5ALDH1A1MEN1LMNAGAA
SCHEMBL5100840 0.76 GRM5 (1.00) GRM5ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL5101454 0.76 GRM5 (0.62) GRM5NOTUMMEN1LMNAGAA
SCHEMBL5078491 0.75 GRM5 (0.60) GRM5MEN1SMN1; SMN2NPC1RAB9A
SCHEMBL4033214 0.75 TGFBR1 (0.59) GRM5ALDH1A1MEN1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371767-B2 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2008-05-13 US claimed
US-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-04-21 US claimed
EP-1458710-A4 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-04-20 EP claimed
EP-1458710-A1 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-09-22 EP claimed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed
WO-2003059904-A1 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-07-24 WO claimed

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-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C GRM5 1/4885NOTUM 2871/4885ALDH1A1 2777/4885

“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.