SCHEMBL4359832

SCHEMBL4359832

COc1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
MMP1 P03956 3/20 0.51
MMP3 P08254 3/20 0.51
MMP7 P09237 3/20 0.51
MMP9 P14780 3/20 0.51
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP13 P45452 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRL1 P41146 1/20 0.51
MMP2 P08253 2/20 0.49
MMP8 P22894 2/20 0.49
CYP3A4 P08684 1/20 0.49
DPP4 P27487 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL3902852 0.91 SMN1; SMN2 (0.56) L3MBTL1DPP4HRH3NPC1RAB9A
SCHEMBL1208730 0.86 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1DPP4HRH3NPC1
SCHEMBL29010221 0.84 CYP46A1 (0.54) KDM1ACYP3A4DPP4HRH3NPC1
SCHEMBL4373542 0.83 KDM4E (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4392312 0.83 FNTA (0.57) ALDH1A1L3MBTL1OPRM1CYP3A4HRH3
SCHEMBL4387744 0.83 F2 (0.48) DPP4HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL6891931 0.83 CYP46A1 (0.56) CYP3A4DPP4HRH3NPC1RAB9A
SCHEMBL24199876 0.82 SIGMAR1 (0.68) KDM1AALDH1A1HRH3SIGMAR1FAAH
SCHEMBL6411056 0.81 FAAH (0.53) ALDH1A1L3MBTL1HRH3NPC1RAB9A
SCHEMBL2262766 0.81 CYP3A4 (0.52) KDM1AMMP1MMP3MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP KDM1A 198/4885MMP1 424/4885MMP3 190/4885

“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.