SCHEMBL12449646

SCHEMBL12449646

C[C@H]1CCCN(CC2CCOCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GBA1 P04062 1/20 0.41
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 3/20 0.37
RAB9A P51151 1/20 0.37
ADORA2A P29274 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN2A Q99250 1/20 0.34

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
SCHEMBL25854024 1.00 ACHE (0.43) ACHEKDM4EGBA1CHRM5ADRA2C
SCHEMBL12827 1.00 ACHE (0.43) ACHEKDM4EGBA1CHRM5ADRA2C
SCHEMBL12765 0.90 KDM4E (0.41) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL12449648 0.90 KDM4E (0.41) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL18390909 0.89 ACHE (0.50) ACHEKDM4EGBA1CHRM5ADRA2C
SCHEMBL12717548 0.87 ACHE (0.50) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL21120881 0.87 ACHE (0.50) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL10685124 0.87 ACHE (0.50) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL12950313 0.85 ACHE (0.59) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL1201944 0.83 ACHE (0.62) ACHEKDM4ECHRM5ADRA2CCYP3A4

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
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA ACHE 2535/4885KDM4E 1093/4885GBA1 1418/4885

“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.