SCHEMBL9107780

SCHEMBL9107780

O=C(O)C1CCC(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
EPHX2 P34913 2/20 0.43
FFAR4 Q5NUL3 1/20 0.41
LIPE Q05469 8/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
NOTUM Q6P988 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 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
SCHEMBL9107773 1.00 TDP1 (0.45) TDP1EPHX2FFAR4LIPEHCRTR1
SCHEMBL16542470 0.85 TDP1 (0.47) TDP1HDAC6CYP2C8CYP2C9CYP2C19
SCHEMBL9106175 0.83 CNR2 (0.53) TDP1NOTUMHDAC6CYP2C8CYP2C9
SCHEMBL3701589 0.83 CNR2 (0.53) TDP1NOTUMHDAC6CYP2C8CYP2C9
SCHEMBL9107624 0.82 TDP1 (0.59) TDP1CYP2C19ALDH1A1POLB
SCHEMBL9107636 0.82 TDP1 (0.59) TDP1CYP2C19ALDH1A1POLB
SCHEMBL28933730 0.80 TDP1 (0.53) TDP1NOTUMHDAC6CYP2C8CYP2C9
SCHEMBL9106845 0.80 TDP1 (0.53) TDP1NOTUMHDAC6CYP2C8CYP2C9
SCHEMBL9106851 0.80 TDP1 (0.53) TDP1NOTUMHDAC6CYP2C8CYP2C9
SCHEMBL9893024 0.79 HCRTR1 (0.43) TDP1EPHX2LIPEHCRTR1HCRTR2

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 TDP1 4464/4885EPHX2 2014/4885FFAR4 188/4885

“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.