SCHEMBL9891779

SCHEMBL9891779

CC(C)C1CCC(=O)N1c1ccc(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
GRM5 P41594 6/20 0.40
GPR119 Q8TDV5 1/20 0.38
IDH1 O75874 7/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DHODH Q02127 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
GRM1 Q13255 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL9891784 0.84 NPC1 (0.42) HRH3GRM5GPR119IDH1CNR1
SCHEMBL9891778 0.83 GAA (0.42) GPR119IDH1CNR2
SCHEMBL9891783 0.83 CNR1 (0.51) HRH3GPR119IDH1CNR1CNR2
SCHEMBL9893027 0.81 GRM5 (0.42) HRH3GRM5GPR119GRM1HDAC1
SCHEMBL9891785 0.81 HRH3 (0.44) HRH3IDH1
SCHEMBL9891781 0.80 CNR1 (0.50) GRM5GPR119IDH1CNR1CNR2
SCHEMBL9891782 0.77 KDM4E (0.46) HRH3IDH1
SCHEMBL9891786 0.77 ACACB (0.36) IDH1
SCHEMBL2571392 0.75 CNR2 (0.41) HRH3GRM5GPR119IDH1CNR1
SCHEMBL2571390 0.75 CNR2 (0.41) HRH3GRM5GPR119IDH1CNR1

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 HRH3 236/4885GRM5 210/4885GPR119 237/4885

“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.