SCHEMBL12765

SCHEMBL12765

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.37
PIK3CD O00329 3/20 0.35
PIK3R2 O00459 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 3/20 0.35
PIK3R5 Q8WYR1 3/20 0.35
PIK3R3 Q92569 3/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 1/20 0.34
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL12449648 1.00 KDM4E (0.41) KDM4ECYP2C19CYP3A4ACHEPIK3CD
SCHEMBL12449646 0.90 ACHE (0.43) KDM4ECYP2C19CYP3A4ACHELMNA
SCHEMBL25854024 0.90 ACHE (0.43) KDM4ECYP2C19CYP3A4ACHELMNA
SCHEMBL12449706 0.90 ACHE (0.43) KDM4EACHEPIK3CDPIK3R2PIK3CA
SCHEMBL12449697 0.90 ACHE (0.43) KDM4EACHEPIK3CDPIK3R2PIK3CA
SCHEMBL12998 0.90 ACHE (0.43) KDM4EACHEPIK3CDPIK3R2PIK3CA
SCHEMBL12827 0.90 ACHE (0.43) KDM4ECYP2C19CYP3A4ACHELMNA
SCHEMBL27274600 0.84 GBA1 (0.44) KDM4EACHEPIK3CALMNAHSD11B1
SCHEMBL21120881 0.80 ACHE (0.50) KDM4ECYP2C19CYP3A4ACHELMNA
SCHEMBL12717548 0.80 ACHE (0.50) KDM4ECYP2C19CYP3A4ACHELMNA

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 6 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
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 KDM4E 1093/4885CYP2C19 1822/4885CYP3A4 2235/4885

“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.