SCHEMBL9892997

SCHEMBL9892997

CC1CCC(=O)N1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
APAF1 O14727 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
ABL1 P00519 1/20 0.46
LMNA P02545 1/20 0.46
GPR119 Q8TDV5 1/20 0.43
HSD11B1 P28845 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HDAC1 Q13547 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
SCHEMBL9891783 0.83 CNR1 (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL9893027 0.81 GRM5 (0.42) ABL1GPR119HDAC1HDAC8HDAC6
SCHEMBL9106074 0.80 CNR2 (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL9106063 0.80 CNR2 (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL16480457 0.80 NPC1 (0.45) SMN1; SMN2ALDH1A1CNR1CNR2ABL1
SCHEMBL9893029 0.78 GAA (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1CNR2
SCHEMBL13285315 0.78 GRIN2D (0.38) MAPTCNR1CNR2ABL1HDAC1
SCHEMBL16480454 0.78 NPC1 (0.49) MAPTSMN1; SMN2ALDH1A1L3MBTL1CNR1
SCHEMBL16480490 0.77 HRH3 (0.40) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL21130738 0.75 HDAC6 (0.72) HDAC1HDAC8HDAC6HDAC5

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 MAPT 4057/4885KDM4E 2527/4885SMN1; SMN2 4659/4885

“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.