SCHEMBL9891841

SCHEMBL9891841

CC(C)(C)C1CCCN1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.53
CNR1 P21554 1/20 0.53
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 7/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 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
SCHEMBL16253000 0.96 CNR2 (0.50) CNR2CNR1POLBSMN1; SMN2LMNA
SCHEMBL9891496 0.92 POLB (0.52) CNR2CNR1POLBSMN1; SMN2LMNA
SCHEMBL16480423 0.84 CNR1 (0.53) CNR2CNR1POLBSMN1; SMN2LMNA
SCHEMBL9891889 0.84 ALDH1A1 (0.44) CNR2CNR1POLBSMN1; SMN2LMNA
SCHEMBL16253034 0.83 SMN1; SMN2 (0.49) CNR2CNR1POLBSMN1; SMN2LMNA
SCHEMBL9892995 0.81 CNR1 (0.50) CNR2CNR1POLBSMN1; SMN2LMNA
SCHEMBL16254976 0.81 POLB (0.51) CNR2CNR1POLBSMN1; SMN2LMNA
SCHEMBL14724229 0.80 POLB (0.48) CNR2CNR1POLBSMN1; SMN2LMNA
SCHEMBL3703692 0.78 CNR1 (0.62) CNR2CNR1POLBSMN1; SMN2LMNA
SCHEMBL3698930 0.78 CNR1 (0.62) CNR2CNR1POLBSMN1; SMN2LMNA

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 2/4885POLB 2879/4885

“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.