SCHEMBL3240264

SCHEMBL3240264

[CH2]c1ccc(CN(CCO)Cc2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
NR1H3 Q13133 8/20 0.46
HTT P42858 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
RORC P51449 1/20 0.42
CHRNA7 P36544 1/20 0.41
NR1D1 P20393 8/20 0.40
MMP13 P45452 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3240410 0.82 HTT (0.61) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL3239914 0.78 CHRNB2 (0.67) CHRNB2CHRNA4NR1H3CHRNA7
SCHEMBL7215289 0.76 CHRNB2 (0.56) CHRNB2CHRNA4NR1H3HDAC3HDAC4
SCHEMBL14012798 0.75 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA7NR1D1
SCHEMBL13954259 0.75 RECQL (0.48) CHRNB2CHRNA4NR1H3NR1D1
SCHEMBL16606314 0.75 CHRNB2 (0.69) CHRNB2CHRNA4NR1H3CHRNA7NR1D1
SCHEMBL9827841 0.73 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7
SCHEMBL16211015 0.73 CHRNA7 (0.54) CHRNB2CHRNA4NR1H3HDAC3HDAC4
SCHEMBL8716866 0.73 KMT2A (0.56) CHRNB2CHRNA4KMT2A
SCHEMBL27928441 0.73 CHRNA7 (0.58) CHRNB2CHRNA4NR1H3HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 CHRNB2 3688/4885CHRNA4 4347/4885NR1H3 377/4885

“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.