SCHEMBL4812751

SCHEMBL4812751

NC(=O)C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3cnccn3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.43
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.41
ALOX12 P18054 1/20 0.41
NAMPT P43490 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
TACR1 P25103 1/20 0.39
SCN9A Q15858 1/20 0.38
MLYCD O95822 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL4807083 0.89 KDM4E (0.49) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL2809020 0.88 KDM4E (0.47) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL4811981 0.87 KDM4E (0.48) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL4808617 0.86 KDM4E (0.47) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL4812928 0.86 KDM4E (0.47) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL4812170 0.84 SLC6A2 (0.47) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL2804840 0.84 SLC6A4 (0.47) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL4808675 0.84 KDM4E (0.45) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL3244283 0.84 KDM4E (0.45) KDM4EALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL3132905 0.83 MAPT (0.53) KDM4EALDH1A1LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US claimed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US claimed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 US disclosed
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 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 (2 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-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 KDM4E 2902/4885ALDH1A1 533/4885LMNA 4295/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 KDM4E 2845/4885ALDH1A1 445/4885LMNA 3481/4885

“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.