SCHEMBL1734536

SCHEMBL1734536

CC[C@H](CCC(N)=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
KIF11 P52732 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
MMP2 P08253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.41
TGM2 P21980 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PTGS1 P23219 3/20 0.39
FFAR1 O14842 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
FPR2 P25090 1/20 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
SCHEMBL1734540 1.00 HDAC1 (0.50) HDAC1KIF11CA12CA1MMP2
SCHEMBL3265463 0.86 KIF11 (0.45) HDAC1KIF11CA12CA1MMP2
SCHEMBL8996214 0.86 KIF11 (0.45) HDAC1KIF11CA12CA1MMP2
SCHEMBL1937094 0.86 KIF11 (0.45) HDAC1KIF11CA12CA1MMP2
SCHEMBL5766910 0.80 CA1 (0.49) HDAC1KIF11CA12CA1MMP2
SCHEMBL1734544 0.78 CA12 (0.46) HDAC1CA12CA1MMP2MEN1
SCHEMBL1734546 0.78 CA12 (0.46) HDAC1CA12CA1MMP2MEN1
SCHEMBL14509044 0.78 CA12 (0.46) HDAC1KIF11CA12CA1MMP2
SCHEMBL5424944 0.77 CCNT1 (0.50) HDAC1KIF11CA12CA1MMP2
SCHEMBL5359412 0.77 CCNT1 (0.50) HDAC1KIF11CA12CA1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US disclosed
EP-2007728-B1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2011-11-16 EP disclosed
WO-2011131370-A1 MELT-GRANULATED FINGOLIMOD RATIOPHARM GMBH (DE) 2011-10-27 WO disclosed
EP-2154132-A1 A process for preparing tetrahydroquinoline derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
EP-2007728-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-31 EP disclosed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 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-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES PCSK9, LSS, DHCR7 HDAC1 1570/4885KIF11 2967/4885CA12 4868/4885

“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.