SCHEMBL6838153

SCHEMBL6838153

O=C(O)N[C@@H](Cc1ccccc1)C1CC(Cc2ccccc2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CAPN1 P07384 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
USP2 O75604 2/20 0.35
LMNA P02545 1/20 0.34
MAOB P27338 1/20 0.34
ACE P12821 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA1G O43497 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
SCHEMBL6838155 1.00 POLB (0.36) POLBCAPN1NPC1RAB9ACTSD
SCHEMBL3806061 0.93 FPR2 (0.37) NPC1RAB9AUSP2KMT2A
SCHEMBL3797429 0.87 DPP4 (0.38)
SCHEMBL3803345 0.87 DPP4 (0.38)
SCHEMBL7432732 0.84 ATM (0.46) LMNAACEKMT2A
SCHEMBL6312228 0.84 ATM (0.46) LMNAACEKMT2A
SCHEMBL7443701 0.84 ATM (0.46) LMNAACEKMT2A
SCHEMBL9005035 0.84 ATM (0.46) LMNAACEKMT2A
SCHEMBL4061133 0.84 CAPN1 (0.35) CAPN1NPC1RAB9ABACE1KMT2A
SCHEMBL9817901 0.84 CACNA1G (0.39) NPC1RAB9AACECACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753410-B2 ANALYZING THE PROCESSING OF AMYLOID PROTEIN PRECURSOR (APP); ALZHEIMER'S DISEASE; ENZYME INHIBITORS OF GAMMA-SECRETASE, A PROTEASE, AND INHIBITS PROTEOLYSIS OF PRESENILIN-1 ON WHICH THE SECRETASE ACTIVITY IS DEPENDENT MERCK & CO., INC. 2004-06-22 US disclosed
US-20020013276-A1 Investigational compounds MERCK & CO., INC. 2002-01-31 US 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-20020013276-A1 Investigational compounds CBR1, CBR3, CNR1 POLB 2576/4885CAPN1 2919/4885NPC1 106/4885

“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.