SCHEMBL13707014

SCHEMBL13707014

CC1(C)CC(=O)c2ccc(-c3nc(F)cs3)nc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 6/20 0.47
HTT P42858 1/20 0.47
RXFP1 Q9HBX9 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
GRM5 P41594 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13824734 0.86 CYP2C19 (0.61) CYP2C19ALDH1A1HTTRXFP1PIK3CD
SCHEMBL13707073 0.78 CYP2C19 (0.54) CYP2C19ALDH1A1HTTRXFP1PIK3CD
SCHEMBL13706961 0.77 GRM5 (0.41) ALDH1A1MAOAMAOBTP53MAPT
SCHEMBL8243536 0.76 GRM5 (0.44) GRM5
SCHEMBL4329864 0.76 CYP2C19 (0.48) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL8284605 0.73 CYP2C19 (0.54) CYP2C19ALDH1A1HTTPIK3CDPIK3CA
SCHEMBL13673958 0.73 CYP2C19 (0.54) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL13707029 0.72 CYP2C19 (0.50) CYP2C19ALDH1A1HTTRXFP1PIK3CD
SCHEMBL11644246 0.72 CYP2C19 (0.60) CYP2C19ALDH1A1HTTRXFP1MAOA
SCHEMBL4423877 0.71 WRN (0.45) CYP2C19ALDH1A1HTTRXFP1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.