SCHEMBL11025840

SCHEMBL11025840

CC1(C)CC(c2cc(N3CCOCC3)ccc2Cl)Nc2ccc(C(=O)NS(C)(=O)=O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 5/20 0.38
BCL2 P10415 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
BAK1 Q16611 1/20 0.37
SCN9A Q15858 5/20 0.36
HPGD P15428 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
IP6K1 Q92551 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL11940888 0.92 SCN9A (0.39) EPHX2NR1H4MAPTMEN1KMT2A
SCHEMBL11025665 0.91 MAPT (0.39) EPHX2NR1H4MAPTMEN1KMT2A
SCHEMBL11027325 0.87 PRKAG1 (0.43) EPHX2NR1H4MAPTMEN1KMT2A
SCHEMBL11029510 0.86 SCN9A (0.37) SCN9APRKAG1PRKAA1PRKAB1IP6K1
SCHEMBL11028243 0.86 PRKAG1 (0.39) EPHX2NR1H4MAPTMEN1KMT2A
SCHEMBL11940887 0.83 CNR1 (0.40) MAPTMEN1KMT2AGAASCN9A
SCHEMBL11025530 0.83 SIRT2 (0.45) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL11027051 0.82 CHEK1 (0.40) EPHX2NR1H4MAPTPRKAG1PRKAA1
SCHEMBL11027687 0.82 PRKAG1 (0.38) EPHX2NR1H4MAPTBCL2SCN9A
SCHEMBL11940900 0.82 SCN9A (0.38) EPHX2NR1H4MAPTRAB9ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 US claimed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 US disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 US disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A EPHX2 3033/4885NR1H4 298/4885MAPT 3428/4885

“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.