SCHEMBL3854907

SCHEMBL3854907

CCC(C)Nc1cc(C(=O)OC)cc(OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
HCAR3 P49019 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NUDT1 P36639 1/20 0.41
ACACB O00763 3/20 0.40
CXCR2 P25025 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
ACACA Q13085 1/20 0.39
PPIA P62937 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GCK P35557 1/20 0.38

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
SCHEMBL5155853 0.86 HPGD (0.39) HPGDLMNAHCAR3ADORA3ADORA1
SCHEMBL30931811 0.77 LMNA (0.59) HPGDLMNAADORA3ADORA1PTGES
SCHEMBL730969 0.77 LMNA (0.59) HPGDLMNAADORA3ADORA1PTGES
SCHEMBL3862322 0.77 KDM4E (0.42) HPGDLMNAHCAR3KDM4EALDH1A1
SCHEMBL733458 0.76 HPGD (0.58) HPGDLMNAKDM4EALDH1A1NUDT1
SCHEMBL3853513 0.76 HCAR3 (0.43) LMNAHCAR3KDM4EALDH1A1
SCHEMBL3853514 0.76 HCAR3 (0.43) LMNAHCAR3KDM4EALDH1A1
SCHEMBL3855896 0.74 ALDH1A1 (0.48) LMNAHCAR3KDM4EALDH1A1MEN1
SCHEMBL3855893 0.74 ALDH1A1 (0.48) LMNAHCAR3KDM4EALDH1A1MEN1
SCHEMBL3855317 0.73 HCAR3 (0.42) LMNAHCAR3KDM4EALDH1A1CXCR2

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-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO 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 (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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP HPGD 2737/4885LMNA 1677/4885HCAR3 1734/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 HPGD 672/4885LMNA 2877/4885HCAR3 3196/4885

“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.