SCHEMBL4363998

SCHEMBL4363998

Cc1ccccc1CN(Cc1ccccc1C)[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ DPP4 P27487 2/20 0.34
▸ FAP Q12884 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GPR119 Q8TDV5 3/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ ACE P12821 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
SCHEMBL4364638 1.00 CCR3 (0.35) CCR3NR1H2NR1H3DPP4FAP
SCHEMBL4363997 1.00 CCR3 (0.35) CCR3NR1H2NR1H3DPP4FAP
SCHEMBL3854146 0.98 DPP4 (0.36) CCR3NR1H2NR1H3DPP4FAP
SCHEMBL3854142 0.98 DPP4 (0.36) CCR3NR1H2NR1H3DPP4FAP
SCHEMBL11970386 0.88 KLK7 (0.41) NR1H2NR1H3NPSR1GPR119MEN1
SCHEMBL11970385 0.88 KLK7 (0.41) NR1H2NR1H3NPSR1GPR119MEN1
SCHEMBL5063462 0.82 KLK7 (0.33) GPR119MEN1KMT2AKLK7KDM1A
SCHEMBL4361149 0.82 ACE (0.42) GPR119KMT2AKLK7ACE
SCHEMBL4364302 0.82 ACE (0.42) GPR119KMT2AKLK7ACE
SCHEMBL5156143 0.81 KDM1A (0.37) DPP4FAPDPP8DPP9NPSR1

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 CCR3 4494/4885NR1H2 1273/4885NR1H3 1725/4885

“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.

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