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SCHEMBL3861827

SCHEMBL3861827

CCCN(C)C(=O)c1cc(C(=O)O)cc(C(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ HCAR3 P49019 5/20 0.36
▸ ACACB O00763 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ ABCC2 Q92887 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ UGT1A7 Q9HAW7 1/20 0.34
▸ SLC22A11 Q9NSA0 1/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL3854271 0.87 HCAR3 (0.44) PDK2HCAR3ACACBMEN1KMT2A
SCHEMBL5158703 0.84 CYP2C9 (0.38) PDK2ACACBMEN1KMT2ACA12
SCHEMBL3860319 0.83 PDK2 (0.40) PDK2TACR1HCAR3ACACBMEN1
SCHEMBL3858636 0.83 CA12 (0.42) PDK2MEN1KMT2ACA12CA2
SCHEMBL3853571 0.82 HTT (0.40) PDK2HCAR3ACACBKMT2AMRGPRX4
SCHEMBL3855652 0.81 HCAR3 (0.40) PDK2HCAR3ACACBMEN1KMT2A
SCHEMBL13306259 0.81 TPMT (0.52) PDK2HCAR3MEN1KMT2AALDH1A1
SCHEMBL3857881 0.81 PDK2 (0.39) PDK2TACR1HCAR3ACACBMEN1
SCHEMBL3857713 0.81 HCAR3 (0.40) PDK2HCAR3ACACBMEN1KMT2A
SCHEMBL3860120 0.80 TPMT (0.40) PDK2HCAR3ACACBMEN1KMT2A

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-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL 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 PDK2 4208/4885TACR1 851/4885HCAR3 1734/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 PDK2 610/4885TACR1 980/4885HCAR3 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.