SCHEMBL12725366

SCHEMBL12725366

CN1CCN(Cc2cccc(-c3cccc(C#N)c3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
HTR1A P08908 1/20 0.55
TNIK Q9UKE5 1/20 0.54
HRH3 Q9Y5N1 1/20 0.52
CHRM3 P20309 3/20 0.52
MC4R P32245 1/20 0.51
FAAH O00519 1/20 0.49
CHKA P35790 1/20 0.49
DRD4 P21917 3/20 0.48
DRD3 P35462 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
KDR P35968 1/20 0.46

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
SCHEMBL1482500 0.91 HRH3 (0.60) DRD2TNIKHRH3MC4RFAAH
SCHEMBL29809149 0.91 HRH3 (0.60) DRD2TNIKHRH3MC4RFAAH
SCHEMBL2227678 0.86 HRH3 (0.62) HRH3MC4RFAAHCHKA
SCHEMBL28024099 0.83 FAAH (0.63) DRD2HTR1AHRH3CHRM3FAAH
SCHEMBL20804353 0.83 FAAH (0.63) DRD2HTR1AHRH3CHRM3FAAH
SCHEMBL21495134 0.82 MC4R (0.71) DRD2HTR1ACHRM3MC4RFAAH
SCHEMBL3146310 0.80 MC4R (0.54) DRD2HTR1AHRH3CHRM3MC4R
SCHEMBL24061116 0.80 MC4R (0.57) DRD2HTR1ACHRM3MC4RCHKA
SCHEMBL12725365 0.80 PRMT6 (0.61) HRH3CHRM3MC4RCHKADRD4
SCHEMBL24061112 0.78 NMT1 (0.57) DRD2HRH3CHRM3MC4RCHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 DRD2 485/4885HTR1A 338/4885TNIK 3252/4885

“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.