SCHEMBL44971

SCHEMBL44971

CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2ccc(C(=O)N3CCC(C(C)(C)O)C3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C19 P33261 2/20 0.39
MGLL Q99685 1/20 0.39
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
IDH1 O75874 1/20 0.37
GHSR Q92847 1/20 0.37
CYP3A4 P08684 2/20 0.36
USP30 Q70CQ3 1/20 0.36
FAAH O00519 2/20 0.36
USP2 O75604 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
KMO O15229 1/20 0.34

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
SCHEMBL47271 0.89 PRKAG1 (0.42) MEN1KMT2AMAPTKDM4EMGLL
SCHEMBL45198 0.89 PRKAG1 (0.47) MEN1KMT2AMAPTKDM4ECYP2C19
SCHEMBL15752055 0.85 CYP2C19 (0.41) MEN1KMT2AMAPTKDM4ECYP2C19
SCHEMBL11025709 0.84 F7 (0.44) MEN1KMT2AMAPTCYP2C19CYP3A4
SCHEMBL45139 0.83 PRKAG1 (0.41) MEN1KMT2AMAPTKDM4ECYP2C19
SCHEMBL41549 0.83 KMO (0.52) MEN1KMT2AMAPTKDM4ECYP2C19
SCHEMBL11026479 0.83 CYP2C19 (0.41) MEN1KMT2AMAPTCYP2C19PRKAG1
SCHEMBL45781 0.81 F10 (0.45) MEN1KMT2AMAPTCYP2C19CYP3A4
SCHEMBL11026483 0.81 F10 (0.45) MEN1KMT2AMAPTCYP2C19CYP3A4
SCHEMBL45126 0.79 F10 (0.40) MAPTCYP2C19CYP3A4KMOF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP claimed
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-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-8592594-B2 Tetrahydro-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-26 US disclosed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP 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
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 MEN1 1106/4885KMT2A 879/4885MAPT 3006/4885

“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.