SCHEMBL9892086

SCHEMBL9892086

C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)cn2)CCCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.75
CNR2 P34972 3/20 0.75
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
PTGS1 P23219 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
FGFR4 P22455 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL9892084 0.86 CNR2 (1.00) CNR1CNR2MAPTALDH1A1
SCHEMBL9892077 0.85 CNR1 (0.61) CNR1CNR2MAPTHIF1AEPAS1
SCHEMBL9108710 0.85 CNR1 (0.61) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL9108717 0.85 CNR1 (0.61) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL9892085 0.80 CNR1 (0.56) CNR1CNR2MAPTSMN1; SMN2HDAC11
SCHEMBL9893003 0.77 CNR1 (0.51) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL9891850 0.72 CNR1 (0.48) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL9892076 0.71 CNR2 (1.00) CNR1CNR2
SCHEMBL2252774 0.70 RAB9A (0.50) MAPTKDM4EHIF1AEPAS1ALDH1A1
SCHEMBL2254610 0.70 RAB9A (0.50) MAPTKDM4EHIF1AEPAS1ALDH1A1

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 CNR1 2/4885CNR2 1/4885MAPT 4057/4885

“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.