SCHEMBL3745652

SCHEMBL3745652

OCCN1Cc2ccc(Cl)nc2O[C@H](c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.37
FADS1 O60427 1/20 0.35
CNR2 P34972 5/20 0.33
KDM1A O60341 1/20 0.32
MAPK1 P28482 1/20 0.32
PDCD1 Q15116 5/20 0.32
CD274 Q9NZQ7 5/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
LTA4H P09960 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3740673 1.00 SLC18A3 (0.37) SLC18A3FADS1CNR2KDM1AMAPK1
SCHEMBL3753909 0.88 FADS1 (0.33) FADS1CNR2MEN1KMT2A
SCHEMBL13075741 0.86 FADS1 (0.34) FADS1CNR2PRMT5WDR77LTA4H
SCHEMBL3747659 0.83 LTA4H (0.37) FADS1CNR2MAPK1PRMT5WDR77
SCHEMBL3706185 0.82 SLC6A2 (0.40)
SCHEMBL3703663 0.82 SLC6A2 (0.40)
SCHEMBL3753480 0.82 SLC6A2 (0.40)
SCHEMBL3750856 0.79 ABHD6 (0.36) FADS1
SCHEMBL3748653 0.77 SMN1; SMN2 (0.33) FADS1LTA4HKMT2A
SCHEMBL3748649 0.77 SMN1; SMN2 (0.33) FADS1LTA4HKMT2A

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
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 SLC18A3 1394/4885FADS1 1793/4885CNR2 2755/4885

“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.