SCHEMBL9892085

SCHEMBL9892085

C[C@@]1(C(=O)Nc2nc(-c3ccccc3)ns2)CCCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.56
CNR2 P34972 2/20 0.56
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 4/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ADORA3 P0DMS8 9/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 2/20 0.41

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
SCHEMBL9892086 0.80 CNR1 (0.75) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL9108717 0.76 CNR1 (0.61) CNR1CNR2SMN1; SMN2LMNAPOLB
SCHEMBL9108710 0.76 CNR1 (0.61) CNR1CNR2SMN1; SMN2LMNAPOLB
SCHEMBL9892038 0.72 ADORA3 (0.48) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL9892032 0.72 ADORA3 (0.48) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL9892084 0.72 CNR2 (1.00) CNR1CNR2MAPT
SCHEMBL9892077 0.69 CNR1 (0.61) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL2304751 0.67 MPL (0.48) TP53ADORA3ALOX15MAPK1CASP1
SCHEMBL9893003 0.67 CNR1 (0.51) CNR1CNR2SMN1; SMN2LMNAPOLB
SCHEMBL13257009 0.65 CNR2 (0.54) CNR1CNR2SMN1; SMN2TP53ADORA3

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 1/4885SMN1; SMN2 4659/4885

“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.