SCHEMBL3706859

SCHEMBL3706859

Clc1ccc2c(n1)O[C@H](c1ccccc1)CNC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
KCNH2 Q12809 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
HTR6 P50406 1/20 0.30
CHRNB2 P17787 3/20 0.30
CHRNB4 P30926 3/20 0.30
CHRNA3 P32297 3/20 0.30
CHRNA7 P36544 3/20 0.30
CHRNA4 P43681 3/20 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
SCHEMBL3706863 1.00 MEN1 (0.38) MEN1CYP3A4CYP2D6KMT2ADRD2
SCHEMBL3751168 0.86 CYP2A6 (0.36) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL3741207 0.82 LDHA (0.34)
SCHEMBL3750291 0.81 MEN1 (0.36) MEN1CYP3A4CYP2D6KMT2ADRD2
SCHEMBL3750295 0.81 MEN1 (0.36) MEN1CYP3A4CYP2D6KMT2ADRD2
SCHEMBL3741386 0.78 ATM (0.32) MEN1CYP3A4CYP2D6KMT2ADRD2
SCHEMBL3741380 0.78 ATM (0.32) MEN1CYP3A4CYP2D6KMT2ADRD2
SCHEMBL3745574 0.78 HTR2A (0.31) HTR2AHTR2CHTR2BKCNH2CHRNB2
SCHEMBL1950686 0.77 MEN1 (0.43) MEN1CYP3A4CYP2D6KMT2ADRD2
SCHEMBL10200444 0.77 HTR2A (0.40) HTR2AHTR2CHTR2BKCNH2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US 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
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 (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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 MEN1 421/4885CYP3A4 3017/4885CYP2D6 3104/4885
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 MEN1 2774/4885CYP3A4 3682/4885CYP2D6 4320/4885

“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.