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.

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