SCHEMBL9107543

SCHEMBL9107543

O=C(O)[C@H]1CCCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.59
CNR1 P21554 3/20 0.59
SYK P43405 3/20 0.56
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
ABL1 P00519 1/20 0.53
KMT2A Q03164 2/20 0.48
HSD11B1 P28845 1/20 0.48
POLB P06746 1/20 0.46
ADRA1A P35348 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FPR2 P25090 1/20 0.46
SCN9A Q15858 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
SERPINE1 P05121 1/20 0.45
DGAT1 O75907 1/20 0.45

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
SCHEMBL9105593 1.00 CNR2 (0.59) CNR2CNR1SYKKDM4ELMNA
SCHEMBL9105579 1.00 CNR2 (0.59) CNR2CNR1SYKKDM4ELMNA
SCHEMBL3789726 0.96 CNR2 (0.59) CNR2CNR1SYKKDM4ELMNA
SCHEMBL9893051 0.83 CNR2 (0.72) CNR2CNR1SYKKDM4ELMNA
SCHEMBL9893097 0.83 CNR2 (0.72) CNR2CNR1SYKKDM4ELMNA
SCHEMBL9893094 0.83 CNR2 (0.72) CNR2CNR1SYKKDM4ELMNA
SCHEMBL20458193 0.80 CNR2 (0.62) CNR2CNR1SYKKDM4ELMNA
SCHEMBL13015906 0.80 KDM4E (0.64) CNR2CNR1KDM4ELMNAABL1
SCHEMBL13284763 0.80 CNR2 (0.57) CNR2CNR1SYKKDM4ELMNA
SCHEMBL9107214 0.80 ADRA1A (0.48) CNR2SYKLMNAKMT2AADRA1A

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 2 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-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 2/4885SYK 2061/4885

“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.