SCHEMBL4680658

SCHEMBL4680658

CC1(C)CCc2nc(-c3ncc(-c4cc(F)cc(N5CCOCC5)c4)s3)ccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
CYP1A2 P05177 3/20 0.34
PIK3CA P42336 8/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HIF1A Q16665 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHEK1 O14757 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
MAPK8 P45983 2/20 0.33
MAPK10 P53779 2/20 0.33
MAPK9 P45984 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL4680845 0.93 PRKDC (0.34) TYK2GRM5
SCHEMBL4429744 0.85 MAPT (0.38) SYKCYP1A2PIK3CAUSP2ALDH1A1
SCHEMBL4423870 0.84 ALDH1A1 (0.40) SYKCYP1A2PIK3CAALDH1A1HPGD
SCHEMBL4679375 0.81 GRM5 (0.35) SYKPIK3CAGRM5
SCHEMBL4684358 0.81 GRM5 (0.40) CYP1A2CYP3A4GRM5
SCHEMBL4686465 0.80 GRM5 (0.38) GRM5
SCHEMBL4683018 0.80 GRM5 (0.38) ALDH1A1GRM5
SCHEMBL6025304 0.79 LMNA (0.38) SYKPIK3CAALDH1A1HPGDTSHR
SCHEMBL4683122 0.79 GRM5 (0.36) CYP1A2GRM5
SCHEMBL4681286 0.78 MAPK8 (0.39) SYKCYP1A2PIK3CAUSP2ALDH1A1

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
EP-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 EP claimed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO claimed
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO., KGAA (DE) 2006-01-05 US claimed
EP-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 EP disclosed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO., KGAA (DE) 2006-01-05 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-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 SYK 3546/4885CYP1A2 2240/4885PIK3CA 2615/4885

“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.