SCHEMBL5139464

SCHEMBL5139464

Clc1cc(Cl)cc(-n2ccc(-c3ccccn3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.58
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
COMT P21964 2/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
FLT3 P36888 1/20 0.41
CYP2A6 P11509 1/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 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

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 SCHEMBL5104252 0.98 GRM5 (0.56) GRM5CCR1CCR5CCR8COMT
SCHEMBL5107073 0.87 GRM5 (0.72) GRM5KDM4E
SCHEMBL5100815 0.77 GRM5 (0.66) GRM5COMTFLT3
SCHEMBL5078498 0.76 GRM5 (0.52) GRM5COMTFLT3
SCHEMBL8429326 0.76 CCR1 (0.64) GRM5CCR1CCR5CCR8ADORA2A
Hydrochloric Acid SCHEMBL5103873 0.75 GRM5 (0.64) GRM5COMTFLT3
SCHEMBL5220394 0.75 GRM5 (0.59) GRM5CCR1CCR5CCR8ADORA2A
SCHEMBL5100415 0.74 GRM5 (0.63) GRM5LMNA
SCHEMBL5077794 0.74 GRM5 (0.49) GRM5CCR1CCR5CCR8COMT
SCHEMBL5113223 0.73 GRM5 (0.62) GRM5LMNA

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 1/4885CCR1 4387/4885CCR5 2171/4885

“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.