SCHEMBL13220

SCHEMBL13220

C1CCN(CC2CCOC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.56
CHRM5 P08912 1/20 0.56
HSD11B1 P28845 1/20 0.41
ACHE P22303 1/20 0.39
NAMPT P43490 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 1/20 0.34
GBA1 P04062 1/20 0.34
GAA P10253 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
LMNA P02545 1/20 0.33
MLNR O43193 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
SCHEMBL12671 0.98 CHRM5 (0.52) ADRA2CCHRM5HSD11B1ACHENAMPT
SCHEMBL12618 0.87 CHRM5 (0.67) ADRA2CCHRM5ACHEHRH3SMN1; SMN2
SCHEMBL18682635 0.85 CHRM5 (0.62) ADRA2CCHRM5HSD11B1ACHEHRH3
SCHEMBL25921664 0.82 ADRA2C (0.58) ADRA2CCHRM5ACHEHRH3SMN1; SMN2
SCHEMBL7226560 0.80 NAMPT (0.36) ADRA2CCHRM5HSD11B1ACHENAMPT
SCHEMBL5012467 0.80 NAMPT (0.36) ADRA2CCHRM5HSD11B1ACHENAMPT
SCHEMBL8261146 0.80 ACHE (0.55) ADRA2CCHRM5HSD11B1ACHENAMPT
SCHEMBL3950204 0.80 NAMPT (0.38) ADRA2CCHRM5HSD11B1NAMPTMGLL
SCHEMBL10092855 0.80 GBA1 (0.36) ADRA2CCHRM5HSD11B1NAMPTSMN1; SMN2
SCHEMBL18713019 0.80 NAMPT (0.40) ADRA2CCHRM5HSD11B1ACHENAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 ADRA2C 2024/4885CHRM5 2708/4885HSD11B1 1563/4885

“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.