SCHEMBL3740802

SCHEMBL3740802

CN1Cc2ccc(Cl)nc2OC(c2ccccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A3 Q01959 6/20 0.34
LDHA P00338 1/20 0.33
CXCR4 P61073 3/20 0.32
DGAT2 Q96PD7 2/20 0.31
S1PR1 P21453 2/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 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
SCHEMBL3699653 0.84 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CXCR4
SCHEMBL3747277 0.83 HTR3E (0.33) SLC6A2SLC6A4SLC6A3CXCR4HTR3E
SCHEMBL3703663 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL3706185 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL3753480 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL3703919 0.82 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CXCR4
SCHEMBL3711863 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CXCR4
SCHEMBL3757935 0.80 LTA4H (0.37) LDHAS1PR1
SCHEMBL3745931 0.78 CYP2A6 (0.36) ALDH1A1MAPTHTR3EHTR3BHTR3A
SCHEMBL3699707 0.78 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3

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 SLC6A2 3599/4885SLC6A4 4528/4885SLC6A3 4185/4885

“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.