SCHEMBL43486

SCHEMBL43486

CC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 4/20 0.51
MCHR1 Q99705 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
TMEM97 Q5BJF2 2/20 0.51
DRD4 P21917 3/20 0.49
SLC6A13 Q9NSD5 2/20 0.49
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KCNH2 Q12809 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL15752012 0.87 SIGMAR1 (0.45) SIGMAR1
SCHEMBL45587 0.81 PRKAG1 (0.57)
SCHEMBL11024427 0.76 PRKAG1 (0.50) KMT2AMEN1CYP3A4L3MBTL1
SCHEMBL11026442 0.76 PRKAG1 (0.52)
SCHEMBL46899 0.75 PRKAG1 (0.52) KMT2AMEN1L3MBTL1
SCHEMBL11940878 0.75 PRKAG1 (0.48)
SCHEMBL42744 0.73 PRKAB2 (0.58) KMT2AMEN1L3MBTL1
SCHEMBL14290645 0.73 DRD4 (0.61) SLC6A12MCHR1SIGMAR1TMEM97DRD4
SCHEMBL45701 0.73 F7 (0.56)
SCHEMBL17946338 0.72 KMT2A (0.80) SLC6A12MCHR1SIGMAR1TMEM97DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP claimed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO claimed
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP disclosed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 SLC6A12 2397/4885MCHR1 2789/4885SIGMAR1 2181/4885

“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.