SCHEMBL367814

SCHEMBL367814

O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCC[C@@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 1.00
HTT P42858 2/20 0.74
RAB9A P51151 2/20 0.74
POLB P06746 1/20 0.74
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
CYP2C19 P33261 2/20 0.67
ALDH1A1 P00352 1/20 0.63
MAPK1 P28482 1/20 0.62
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 1/20 0.60
LMNA P02545 1/20 0.59

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
SCHEMBL359675 1.00 GRM4 (1.00) GRM4HTTRAB9APOLBMEN1
SCHEMBL14698148 1.00 GRM4 (1.00) GRM4HTTRAB9APOLBMEN1
SCHEMBL15060591 1.00 GRM4 (1.00) GRM4HTTRAB9APOLBMEN1
SCHEMBL20277498 0.91 GRM4 (0.83) GRM4HTTRAB9APOLBMEN1
SCHEMBL17835239 0.84 GRM4 (0.73) GRM4HTTRAB9APOLBMEN1
SCHEMBL5950689 0.81 GRM4 (0.68) GRM4HTTRAB9APOLBMEN1
SCHEMBL18037299 0.81 ALDH1A1 (0.78) GRM4HTTRAB9APOLBKMT2A
SCHEMBL7857347 0.81 ALDH1A1 (0.78) GRM4HTTRAB9APOLBKMT2A
SCHEMBL10521314 0.81 GRM4 (0.68) GRM4HTTRAB9APOLBMEN1
SCHEMBL10521836 0.81 GRM4 (0.68) GRM4HTTRAB9APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804870-A1 NOVEL 2-AMINO-4,5,6,8-TETRAHYDROPYRAZOLO[3,4-b]THIAZOLO [4,5-d]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2014-11-26 EP disclosed
WO-2013107862-A1 NOVEL 2-AMINO-4,5,6,8-TETRAHYDROPYRAZOLO[3,4-b]THIAZOLO [4,5-d]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2013-07-25 WO disclosed
EP-2592932-A2 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-22 EP disclosed
US-20120219992-A1 METHOD AND COMPOSITION FOR CRYSTALLIZING A FAMILY C GPCR CONFOMETRX, INC. 2012-08-30 US disclosed
WO-2012009001-A2 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 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-20120219992-A1 METHOD AND COMPOSITION FOR CRYSTALLIZING A FAMILY C GPCR TMIGD3, GPR3, TM9SF3 GRM4 367/4885HTT 2462/4885RAB9A 1532/4885

“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.