SCHEMBL9893027

SCHEMBL9893027

CC1CCC(=O)N1c1ccc(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.42
GPR119 Q8TDV5 1/20 0.40
GRM1 Q13255 1/20 0.39
PER2 O15055 4/20 0.38
CRY2 Q49AN0 1/20 0.38
ABL1 P00519 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PARP1 P09874 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL16480457 0.83 NPC1 (0.45) GPR119ABL1HRH3
SCHEMBL13285315 0.82 GRIN2D (0.38) GRM5ABL1HRH3PARP1HDAC1
SCHEMBL9893029 0.82 GAA (0.44) GPR119ABL1HDAC6
SCHEMBL9892997 0.81 MAPT (0.51) GPR119ABL1HRH3HDAC1HDAC8
SCHEMBL9891779 0.81 HRH3 (0.42) GRM5GPR119GRM1HRH3HDAC1
SCHEMBL16480490 0.81 HRH3 (0.40) GRM5ABL1HRH3
SCHEMBL2571392 0.78 CNR2 (0.41) GRM5GPR119GRM1HRH3HDAC1
SCHEMBL2571390 0.78 CNR2 (0.41) GRM5GPR119GRM1HRH3HDAC1
SCHEMBL9893014 0.78 CNR1 (0.50) GRM5GPR119PDK1PDK2
SCHEMBL16480393 0.76 TDP1 (0.47) PER2CRY2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP 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

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 GRM5 210/4885GPR119 237/4885GRM1 308/4885

“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.