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SCHEMBL7600640

SCHEMBL7600640

CC(C)CC1(C)NC(=N)N(CC2CCN(C(=O)c3cccc(C(C)N)c3)CC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ UBE2N P61088 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7522320 0.90 MGLL (0.35) LMNAMGLLOPRK1KDM4EHTT
SCHEMBL7526647 0.88 MEN1 (0.42) MGLLKDM4ECYP2D6ADAM17ADAMTS5
SCHEMBL7519944 0.88 ACHE (0.42) HTTSMN1; SMN2ADAMTS5KMT2AL3MBTL3
SCHEMBL7520594 0.86 LMNA (0.48) LMNAMGLLKDM4EMAPK1HTT
SCHEMBL7519832 0.86 HSD11B1 (0.45) LMNAMGLLMAPTSMN1; SMN2KMT2A
SCHEMBL7523356 0.85 MGLL (0.47) LMNAMGLLKDM4EMAPTHTT
SCHEMBL8290164 0.83 MGLL (0.36) LMNAMGLLOPRK1KDM4ECYP1A2
SCHEMBL7521704 0.82 MEN1 (0.45) LMNAMGLLMAPK1SMN1; SMN2KMT2A
SCHEMBL7519827 0.82 ADAMTS5 (0.40) MGLLOPRK1SMN1; SMN2ADAM17ADAMTS5
SCHEMBL7522307 0.82 OPRK1 (0.42) LMNAMGLLOPRK1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-8242112-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-08-14 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-8178513-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-15 — — US disclosed
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2011-09-08 — — US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-12-10 — — US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 — — 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 (6 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 LMNA 2420/4885MGLL 3016/4885OPRK1 1040/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D LMNA 1624/4885MGLL 805/4885OPRK1 2278/4885
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 LMNA 2420/4885MGLL 3016/4885OPRK1 1040/4885
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ LMNA 2376/4885MGLL 3192/4885OPRK1 1480/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 LMNA 2420/4885MGLL 3016/4885OPRK1 1040/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D LMNA 1624/4885MGLL 805/4885OPRK1 2278/4885

“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.