SCHEMBL9891783

SCHEMBL9891783

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
APAF1 O14727 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 3/20 0.44
LMNA P02545 2/20 0.43
ABL1 P00519 1/20 0.43
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
ACACB O00763 1/20 0.40
IDH1 O75874 3/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL9892997 0.83 MAPT (0.51) CNR1CNR2L3MBTL1MAPTSMN1; SMN2
SCHEMBL9891779 0.83 HRH3 (0.42) CNR1CNR2HRH3GPR119IDH1
SCHEMBL9891784 0.81 NPC1 (0.42) CNR1CNR2SMN1; SMN2HRH3GPR119
SCHEMBL9891778 0.80 GAA (0.42) CNR2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL9891785 0.78 HRH3 (0.44) L3MBTL1MAPTKDM4EALDH1A1HRH3
SCHEMBL9891732 0.78 SMN1; SMN2 (0.48) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL9891781 0.77 CNR1 (0.50) CNR1CNR2L3MBTL1KDM4EALDH1A1
SCHEMBL9106074 0.77 CNR2 (0.58) CNR1CNR2L3MBTL1MAPTSMN1; SMN2
SCHEMBL9106063 0.77 CNR2 (0.58) CNR1CNR2L3MBTL1MAPTSMN1; SMN2
SCHEMBL9891762 0.76 IDH1 (0.39) NR1H2NR1H3IDH1

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 CNR1 2/4885CNR2 1/4885L3MBTL1 4514/4885

“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.