SCHEMBL12449697

SCHEMBL12449697

C[C@H]1CCN(CC2CCOC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
GBA1 P04062 1/20 0.34
PIK3CD O00329 3/20 0.33
PIK3R2 O00459 3/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CG P48736 3/20 0.33
PIK3R5 Q8WYR1 3/20 0.33
PIK3R3 Q92569 3/20 0.33
HTR4 Q13639 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HSD11B1 P28845 1/20 0.33
NAMPT P43490 3/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL12998 1.00 ACHE (0.43) ACHEKDM4ELMNARAB9AGBA1
SCHEMBL12449706 1.00 ACHE (0.43) ACHEKDM4ELMNARAB9AGBA1
SCHEMBL12449648 0.90 KDM4E (0.41) ACHEKDM4ELMNAPIK3CDPIK3R2
SCHEMBL12765 0.90 KDM4E (0.41) ACHEKDM4ELMNAPIK3CDPIK3R2
SCHEMBL8261146 0.89 ACHE (0.55) ACHEGBA1HTR4HSD11B1NAMPT
SCHEMBL18390909 0.89 ACHE (0.50) ACHEKDM4ELMNARAB9AGBA1
SCHEMBL27274600 0.87 GBA1 (0.44) ACHEKDM4ELMNARAB9AGBA1
SCHEMBL12827 0.79 ACHE (0.43) ACHEKDM4ELMNARAB9AGBA1
SCHEMBL25854024 0.79 ACHE (0.43) ACHEKDM4ELMNARAB9AGBA1
SCHEMBL12449646 0.79 ACHE (0.43) ACHEKDM4ELMNARAB9AGBA1

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 4 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

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 1093/4885LMNA 4520/4885

“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.