SCHEMBL10441159

SCHEMBL10441159

O=CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.59
▸ FAAH O00519 2/20 0.58
▸ NAALAD2 Q9Y3Q0 1/20 0.55
▸ MME P08473 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ECE1 P42892 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49

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
SCHEMBL10441164 0.91 FAAH (0.62) ACEFAAHNAALAD2MME
SCHEMBL16892796 0.87 ACE (0.58) ACEFAAHNAALAD2MMENPSR1
SCHEMBL23376907 0.86 MMP1 (0.56) —
SCHEMBL17261298 0.86 NAALAD2 (0.68) ACENAALAD2MMENPSR1LMNA
SCHEMBL17624790 0.86 NAALAD2 (0.68) ACENAALAD2MMENPSR1LMNA
SCHEMBL2806565 0.84 FAAH (0.67) ACEFAAHNAALAD2
SCHEMBL2806570 0.84 FAAH (0.67) ACEFAAHNAALAD2
SCHEMBL1330423 0.83 ACE (0.63) ACEFAAHNAALAD2MMENPSR1
SCHEMBL4153101 0.83 ITGB3 (0.65) ACEFAAHNAALAD2MMENPSR1
SCHEMBL5458748 0.83 ITGB3 (0.65) ACEFAAHNAALAD2MMENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2012-07-19 — — US disclosed
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2012-07-19 — — US disclosed
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-04-28 — — US disclosed
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-04-28 — — US disclosed
WO-2011011766-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-01-27 — — 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-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 ACE 120/4885FAAH 400/4885NAALAD2 134/4885
US-20120184532-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 ACE 120/4885FAAH 400/4885NAALAD2 134/4885

“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.

Send feedback