SCHEMBL5215879

SCHEMBL5215879

Clc1cc(-n2ccc(-c3ccccn3)n2)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.54
FLT3 P36888 3/20 0.41
CCR1 P32246 3/20 0.40
CCR5 P51681 3/20 0.40
CCR8 P51685 3/20 0.40
CRHR1 P34998 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
METAP1 P53582 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL5215858 0.87 GRM5 (0.58) GRM5FLT3CCR1CCR5CCR8
SCHEMBL5216852 0.84 GRM5 (0.54) GRM5FLT3CCR1CCR5CCR8
SCHEMBL5219060 0.84 GRM5 (0.54) GRM5FLT3CCR1CCR5CCR8
SCHEMBL3929992 0.79 GRM5 (0.65) GRM5FLT3CCR1CCR5CCR8
SCHEMBL5219536 0.79 GRM5 (0.57) GRM5FLT3CCR1CCR5CCR8
SCHEMBL3929713 0.79 GRM5 (0.57) GRM5FLT3CCR1CCR5CCR8
SCHEMBL30795341 0.79 GRM5 (0.57) GRM5FLT3CCR1CCR5CCR8
SCHEMBL3923785 0.76 GRM5 (0.64) GRM5FLT3CCR1CCR5CCR8
SCHEMBL30795324 0.76 GRM5 (0.64) GRM5FLT3CCR1CCR5CCR8
SCHEMBL19120907 0.74 FLT3 (0.61) GRM5FLT3CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458383-B1 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-11-21 EP claimed
EP-1458383-A4 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-05-25 EP claimed
US-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME LLC 2005-02-03 US claimed
EP-1458383-A2 HETEROARYL SUBSTITUTED PYRAZOLE 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-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 WO claimed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US disclosed
WO-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 WO 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-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C GRM5 1/4885FLT3 1801/4885CCR1 4350/4885

“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.