SCHEMBL9892154

SCHEMBL9892154

O=C(Nc1cc(C(F)(F)F)ccn1)[C@@H]1CCCN1C1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.58
CNR1 P21554 9/20 0.58
USP30 Q70CQ3 1/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
YES1 P07947 1/20 0.44
LYN P07948 1/20 0.44
FGR P09769 1/20 0.44
SRC P12931 1/20 0.44
CSK P41240 1/20 0.44
TEC P42680 1/20 0.44
TXK P42681 1/20 0.44
FRK P42685 1/20 0.44
BLK P51451 1/20 0.44
BMX P51813 1/20 0.44
BTK Q06187 1/20 0.44
KCNH2 Q12809 1/20 0.44
PTK6 Q13882 1/20 0.44
ERBB4 Q15303 1/20 0.44
SRMS Q9H3Y6 1/20 0.44

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
SCHEMBL9892153 0.84 CNR2 (0.57) CNR2CNR1
SCHEMBL9892147 0.83 CNR2 (0.61) CNR2CNR1USP30MAPK8MAPK10
SCHEMBL13257772 0.81 CNR2 (0.62) CNR2CNR1USP30MAP3K12
SCHEMBL12890685 0.78 USP30 (0.47) CNR2CNR1USP30BTKMAPK10
SCHEMBL9891942 0.76 CNR2 (0.59) CNR2CNR1USP30BTKMAP3K12
SCHEMBL9891996 0.74 CNR2 (0.56) CNR2CNR1USP30MAPK8MAPK10
SCHEMBL9892088 0.74 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19
SCHEMBL10253531 0.73 CNR2 (0.59) CNR2CNR1BTKMAP3K12
SCHEMBL16238745 0.73 LMNA (0.53) CNR2CNR1USP30BMXBTK
SCHEMBL13257826 0.73 LMNA (0.53) CNR2CNR1USP30BMXBTK

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
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885USP30 3438/4885

“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.