SCHEMBL3745931

SCHEMBL3745931

CN1Cc2ccc(Cl)nc2OC(c2cccnc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
RAB9A P51151 1/20 0.36
CHRNB2 P17787 4/20 0.35
CHRNA4 P43681 4/20 0.35
CHRNA7 P36544 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA2 Q15822 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
PSIP1 O75475 1/20 0.35
TRPA1 O75762 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
MAPT P10636 1/20 0.35
CHRNB1 P11230 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL3706185 0.87 SLC6A2 (0.40) LMNATDP1
SCHEMBL3703663 0.87 SLC6A2 (0.40) LMNATDP1
SCHEMBL3753480 0.87 SLC6A2 (0.40) LMNATDP1
SCHEMBL3745628 0.84 KDM4E (0.38) CYP2A6RAB9AALDH1A1
SCHEMBL3702542 0.82 SLC6A4 (0.46)
SCHEMBL3699707 0.82 SLC6A4 (0.43)
SCHEMBL3711863 0.78 SLC6A2 (0.33)
SCHEMBL3740802 0.78 SLC6A2 (0.34) ALDH1A1HTR3EHTR3BMAPTHTR3A
SCHEMBL3751168 0.76 CYP2A6 (0.36) CYP2A6RAB9ACHRNB2CHRNA4CHRNA7
SCHEMBL3747277 0.75 HTR3E (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C

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 CYP2A6 2669/4885RAB9A 1063/4885CHRNB2 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.