SCHEMBL45313

SCHEMBL45313

CCCNC(=O)c1ccc2c(c1)C(C)(C)CC(c1cccc(N3CCOCC3)c1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.40
HDAC3 O15379 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
NTRK1 P04629 2/20 0.38
MAPT P10636 2/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
PLOD2 O00469 2/20 0.38
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38

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
SCHEMBL45394 0.93 PRKD1 (0.40) PRKD1HDAC3MEN1RAB9AKMT2A
SCHEMBL11026483 0.89 F10 (0.45) HDAC3MEN1KMT2ALMNACYP2C19
SCHEMBL45445 0.88 HSD17B10 (0.42) MEN1RAB9AKMT2ACYP2C19MAPT
SCHEMBL45444 0.88 HSD17B10 (0.42) MEN1RAB9AKMT2ACYP2C19MAPT
SCHEMBL45257 0.87 PRMT5 (0.44) MEN1RAB9AKMT2AKDM4ECYP2C19
SCHEMBL45312 0.86 F10 (0.47) PRKD1HDAC3LMNACYP2C19MAPT
SCHEMBL45003 0.86 F10 (0.39) HDAC3CYP2C19NTRK1MAPTNTRK3
SCHEMBL41549 0.86 KMO (0.52) MEN1KMT2AKDM4ECYP2C19MAPT
SCHEMBL45781 0.85 F10 (0.45) MEN1KMT2ALMNACYP2C19MAPT
SCHEMBL45126 0.85 F10 (0.40) HDAC3CYP2C19NTRK1MAPTNTRK3

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 6 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
US-8592594-B2 Tetrahydro-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-26 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 PRKD1 20/4885HDAC3 112/4885MEN1 1106/4885

“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.