SCHEMBL9893024

SCHEMBL9893024

CC1CCC(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.43
HCRTR2 O43614 6/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LIPE Q05469 6/20 0.42
EPHX2 P34913 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ABL1 P00519 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9891755 0.82 LIPE (0.44) HCRTR1HCRTR2POLBL3MBTL1LIPE
SCHEMBL9892984 0.81 POLB (0.54) POLBL3MBTL1TDP1MEN1CYP1A2
SCHEMBL16480454 0.80 NPC1 (0.49) L3MBTL1ABL1MAPTCYP2C9CYP2C19
SCHEMBL16480425 0.79 HRH3 (0.43) L3MBTL1HRH3ABL1TDP1MAPT
SCHEMBL9107773 0.79 TDP1 (0.45) HCRTR1HCRTR2POLBLIPEEPHX2
SCHEMBL9107780 0.79 TDP1 (0.45) HCRTR1HCRTR2POLBLIPEEPHX2
SCHEMBL14155611 0.78 HDAC1 (0.55) HCRTR1HCRTR2LIPEMEN1KMT2A
SCHEMBL16480393 0.78 TDP1 (0.47) POLBABL1TDP1MEN1CYP1A2
SCHEMBL11113574 0.77 GLA (0.59) POLBL3MBTL1HRH3ABL1TDP1
SCHEMBL4636834 0.76 GAA (0.46) POLBABL1MEN1KMT2A

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 HCRTR1 221/4885HCRTR2 142/4885POLB 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.