SCHEMBL1397704

SCHEMBL1397704

O=C(CC12CC3CC(C1)C(C3)C2)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL28093665 0.92 P2RX7 (0.61) P2RX7MEN1KMT2AFAAHLMNA
SCHEMBL7900490 0.77 CNR2 (0.53) P2RX7MEN1KMT2AEPHX2MAPT
SCHEMBL14648365 0.75 GPR55 (0.50) P2RX7MEN1KMT2ALMNAMAPT
SCHEMBL29171626 0.75 PTPN1 (0.53) P2RX7MEN1KMT2ALMNAALDH1A1
SCHEMBL19524540 0.73 P2RX7 (0.54) P2RX7MEN1KMT2AFAAHLMNA
SCHEMBL28094069 0.73 P2RX7 (0.38) P2RX7MEN1KMT2AFAAHLMNA
SCHEMBL7900604 0.72 CNR2 (0.57) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL4556735 0.71 P2RX7 (0.55) P2RX7KMT2AFAAHEPHX2
SCHEMBL19174061 0.70 ALDH1A1 (0.50) P2RX7KMT2AEPHX2ALDH1A1NPSR1
SCHEMBL3711556 0.69 KMT2A (0.61) P2RX7MEN1KMT2ALMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985759-B2 Dipeptidyl peptidase IV inhibitors and processes for their preparation and pharmaceutical compositions containing them MATRIX LABORATORIES LTD. (IN) 2011-07-26 US disclosed
EP-2004601-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LAB LTD (IN) 2011-03-02 EP disclosed
US-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLAN LABORATORIES LIMITED (IN) 2010-06-24 US disclosed
EP-2004601-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Matrix Laboratories Limited (IN) 2008-12-24 EP disclosed
WO-2007113634-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LABORATORIES LTD. (DE) 2007-10-11 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-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 P2RX7 1913/4885MEN1 2315/4885KMT2A 3703/4885

“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.