SCHEMBL3751168

SCHEMBL3751168

Clc1ccc2c(n1)OC(c1cccnc1)CNC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.36
CHRNB2 P17787 5/20 0.35
CHRNA4 P43681 5/20 0.35
CYP3A4 P08684 1/20 0.35
RAB9A P51151 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
LDHA P00338 1/20 0.34
CHRNA7 P36544 4/20 0.33
MEN1 O00255 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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 0.86 MEN1 (0.38) CHRNB2CHRNA4CYP3A4CHRNA7MEN1
SCHEMBL3706859 0.86 MEN1 (0.38) CHRNB2CHRNA4CYP3A4CHRNA7MEN1
SCHEMBL3741207 0.77 LDHA (0.34) TRPM5LDHA
SCHEMBL3745931 0.76 CYP2A6 (0.36) CYP2A6CHRNB2CHRNA4RAB9ACHRNA7
SCHEMBL3745574 0.73 HTR2A (0.31) CHRNB2CHRNA4CHRNA7
SCHEMBL3707388 0.72
SCHEMBL3745628 0.72 KDM4E (0.38) CYP2A6CYP3A4RAB9ALDHA
SCHEMBL10200444 0.72 HTR2A (0.40) CHRNB2CHRNA4CHRNA7
SCHEMBL3700062 0.71 CCR1 (0.30)
SCHEMBL3750295 0.71 MEN1 (0.36) CYP3A4MEN1CYP2D6KMT2ASMN1; SMN2

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 2669/4885CHRNB2 39/4885CHRNA4 498/4885

“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.