SCHEMBL9892995

SCHEMBL9892995

CCC1CCCN1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 8/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL16480423 0.83 CNR1 (0.53) CNR1CNR2POLBMEN1KMT2A
SCHEMBL9892996 0.83 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9891841 0.81 CNR2 (0.53) CNR1CNR2POLBMEN1KMT2A
SCHEMBL16254976 0.80 POLB (0.51) CNR1CNR2POLBMEN1KMT2A
SCHEMBL9893045 0.79 SMN1; SMN2 (0.56) CNR1CNR2POLBMEN1KMT2A
SCHEMBL9893033 0.79 SMN1; SMN2 (0.56) CNR1CNR2POLBMEN1KMT2A
SCHEMBL9893149 0.78 TDP1 (0.50) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL16253000 0.78 CNR2 (0.50) CNR1CNR2POLBMEN1KMT2A
SCHEMBL14724229 0.77 POLB (0.48) CNR1CNR2POLBMEN1KMT2A
SCHEMBL3703692 0.77 CNR1 (0.62) CNR1CNR2POLBMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885POLB 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.