SCHEMBL8282974

SCHEMBL8282974

CC1(C)CC(=O)c2ccc(-c3cccc(Br)c3)nc2C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PGR P06401 2/20 0.39
GRM5 P41594 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
SCHEMBL13673958 0.86 CYP2C19 (0.54) CYP2C19ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL8283798 0.86 CYP2C19 (0.57) CYP2C19ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL13673945 0.85 CYP2C19 (0.52) CYP2C19ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL8283812 0.85 PGR (0.55) CYP2C19ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL4425797 0.84 CYP2C19 (0.42) CYP2C19ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL11644246 0.84 CYP2C19 (0.60) CYP2C19ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL4420855 0.82 CYP2C19 (0.50) CYP2C19ALDH1A1HTTMAOB
SCHEMBL13706913 0.81 CYP11B2 (0.49) CYP2C19ALDH1A1HTTMAOBMAOA
SCHEMBL8283632 0.81 PGR (0.58) CYP2C19ALDH1A1HTTPOLBPGR
SCHEMBL13707021 0.80 ALDH1A1 (0.49) CYP2C19ALDH1A1HTTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
US-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-09-10 US disclosed
US-7550482-B2 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-06-23 US disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 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-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 CYP2C19 3590/4885ALDH1A1 2587/4885HTT 410/4885

“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.