SCHEMBL12671

SCHEMBL12671

C1CCN(CC2CCOC2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.52
ADRA2C P18825 1/20 0.52
HSD11B1 P28845 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
NAMPT P43490 4/20 0.37
ACHE P22303 1/20 0.36
MGLL Q99685 1/20 0.35
GBA1 P04062 2/20 0.35
MLNR O43193 1/20 0.33
HTR4 Q13639 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CYP11B2 P19099 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL13220 0.98 ADRA2C (0.56) CHRM5ADRA2CHSD11B1HRH3NAMPT
SCHEMBL18682635 0.86 CHRM5 (0.62) CHRM5ADRA2CHSD11B1HRH3ACHE
SCHEMBL12618 0.84 CHRM5 (0.67) CHRM5ADRA2CHRH3ACHEGBA1
SCHEMBL8261146 0.82 ACHE (0.55) CHRM5ADRA2CHSD11B1HRH3NAMPT
SCHEMBL3950204 0.82 NAMPT (0.38) CHRM5ADRA2CHSD11B1NAMPTMGLL
SCHEMBL7226560 0.82 NAMPT (0.36) CHRM5ADRA2CHSD11B1NAMPTACHE
SCHEMBL18713019 0.82 NAMPT (0.40) CHRM5ADRA2CHSD11B1HRH3NAMPT
SCHEMBL5012467 0.82 NAMPT (0.36) CHRM5ADRA2CHSD11B1NAMPTACHE
SCHEMBL10092855 0.82 GBA1 (0.36) CHRM5ADRA2CHSD11B1NAMPTMGLL
SCHEMBL18873650 0.82 NAMPT (0.38) CHRM5ADRA2CHSD11B1NAMPTACHE

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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA CHRM5 4062/4885ADRA2C 3042/4885HSD11B1 1944/4885

“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.