Sugi Predict

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SCHEMBL3855296

SCHEMBL3855296

Cc1ccccc1CN(Cc1ccccc1C)C(C=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ NR3C1 P04150 2/20 0.32
▸ PGR P06401 2/20 0.32
▸ NR3C2 P08235 2/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ TAS2R14 Q9NYV8 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL3855298 1.00 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHCRTR1
SCHEMBL14130060 0.82 TDP1 (0.36) MEN1KMT2ABACE1BACE2TAS2R14
SCHEMBL475774 0.82 TDP1 (0.36) MEN1KMT2ABACE1BACE2TAS2R14
SCHEMBL475776 0.82 TDP1 (0.36) MEN1KMT2ABACE1BACE2TAS2R14
SCHEMBL4362215 0.77 TAS2R14 (0.36) MEN1KMT2AALDH1A1MAPTHCRTR1
SCHEMBL4362210 0.77 TAS2R14 (0.36) MEN1KMT2AALDH1A1MAPTHCRTR1
SCHEMBL475507 0.72 SLC1A1 (0.43) MEN1KMT2ANR3C1TAS2R14
SCHEMBL475506 0.72 SLC1A1 (0.43) MEN1KMT2ANR3C1TAS2R14
SCHEMBL4365860 0.69 KDM4E (0.37) ALDH1A1
SCHEMBL269194 0.68 ALDH1A1 (0.46) MEN1KMT2AALDH1A1NR3C1TAS2R14

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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL 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 MEN1 1958/4885KMT2A 619/4885ALDH1A1 661/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 MEN1 2064/4885KMT2A 2934/4885ALDH1A1 1523/4885

“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.