SCHEMBL3748653

SCHEMBL3748653

Clc1ccc2c(n1)OC(c1ccccc1)CN(C1CC1)C2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HDAC4 P56524 1/20 0.31
GRIN2B Q13224 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRIN1 Q05586 1/20 0.31
HTR6 P50406 1/20 0.31
TRPV6 Q9H1D0 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
LTA4H P09960 1/20 0.30
FADS1 O60427 1/20 0.30

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
SCHEMBL3748649 1.00 SMN1; SMN2 (0.33) SMN1; SMN2ATMCHRNB2CHRNA4HDAC4
SCHEMBL3703663 0.82 SLC6A2 (0.40) SMN1; SMN2CYP2D6OPRM1
SCHEMBL3753480 0.82 SLC6A2 (0.40) SMN1; SMN2CYP2D6OPRM1
SCHEMBL3706185 0.82 SLC6A2 (0.40) SMN1; SMN2CYP2D6OPRM1
SCHEMBL13075741 0.79 FADS1 (0.34) HTR6LTA4HFADS1
SCHEMBL3750856 0.79 ABHD6 (0.36) SMN1; SMN2HTR6HPGDFADS1
SCHEMBL3740673 0.77 SLC18A3 (0.37) KMT2ALTA4HFADS1
SCHEMBL3753909 0.77 FADS1 (0.33) KMT2AFADS1
SCHEMBL3746483 0.77 NOTUM (0.39) HPGDLTA4HFADS1
SCHEMBL3745652 0.77 SLC18A3 (0.37) KMT2ALTA4HFADS1

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
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

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 SMN1; SMN2 443/4885ATM 3005/4885CHRNB2 39/4885

“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.