SCHEMBL12445

SCHEMBL12445

C[C@@H]1CCCN(C2CCCOC2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.39
KDM2B Q8NHM5 2/20 0.36
PIK3CD O00329 4/20 0.33
PIK3R2 O00459 4/20 0.33
PIK3CA P42336 4/20 0.33
PIK3CB P42338 4/20 0.33
PIK3CG P48736 4/20 0.33
PIK3R5 Q8WYR1 4/20 0.33
PIK3R3 Q92569 4/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 2/20 0.31
KAT2B Q92831 1/20 0.30

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
SCHEMBL12449673 1.00 ADRA1A (0.39) ADRA1AKDM2BPIK3CDPIK3R2PIK3CA
SCHEMBL17828049 0.91 KDM2B (0.41) ADRA1AKDM2BLMNAALDH1A1KAT2B
SCHEMBL12384482 0.85 ADRA1A (0.39) ADRA1AKDM2BMEN1POLBMAPT
SCHEMBL12396 0.85 ADRA1A (0.39) ADRA1AKDM2BMEN1POLBMAPT
SCHEMBL12631 0.85 ADRA1A (0.39) ADRA1AKDM2BMEN1POLBMAPT
SCHEMBL18664072 0.79 TLR9 (0.34) POLBLMNAALDH1A1OPRM1
SCHEMBL17828053 0.79 KDM2B (0.35) ADRA1AKDM2B
SCHEMBL12449654 0.79 ADRA1A (0.47) ADRA1AKDM2BLMNAALDH1A1
SCHEMBL12843 0.79 ADRA1A (0.47) ADRA1AKDM2BLMNAALDH1A1
SCHEMBL17828048 0.79 ADRA1A (0.47) ADRA1AKDM2BLMNAALDH1A1

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 ADRA1A 3308/4885KDM2B 1388/4885PIK3CD 5/4885

“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.