SCHEMBL4808675

SCHEMBL4808675

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
TSHR P16473 2/20 0.39
ALOX12 P18054 1/20 0.39
OPRM1 P35372 4/20 0.39
OPRL1 P41146 3/20 0.39
TACR1 P25103 2/20 0.39
NAMPT P43490 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
SCN9A Q15858 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
SCHEMBL4808617 0.94 KDM4E (0.47) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL4812170 0.86 SLC6A2 (0.47) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL4807083 0.86 KDM4E (0.49) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL4812928 0.85 KDM4E (0.47) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL4811981 0.84 KDM4E (0.48) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL5758408 0.84 KDM4E (0.45) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL2809020 0.84 KDM4E (0.47) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL4812751 0.84 KDM4E (0.47) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL4806902 0.83 KDM4E (0.44) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL2804778 0.83 KDM4E (0.41) KDM4EALDH1A1LMNAL3MBTL1HSD17B10

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 2 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 disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE KDM4E 799/4885ALDH1A1 391/4885LMNA 712/4885

“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.