SCHEMBL9891746

SCHEMBL9891746

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HSD11B1 P28845 1/20 0.40
HTR7 P34969 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
MAPK1 P28482 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL9891747 0.84 CNR2 (0.47) CNR2HTR7GAACYP2C19PTGER3
SCHEMBL9891736 0.83 ALDH1A1 (0.41) MEN1KMT2APTGER3PTGER2ALDH1A1
SCHEMBL24717003 0.83 HDAC1 (0.40) CNR2CYP2C19TSHR
SCHEMBL9891743 0.81 PTGER2 (0.36) CNR2MEN1KMT2AGFERGAA
SCHEMBL9891733 0.80 CNR2 (0.47) CNR2HTR7POLBPTGER3PTGER2
SCHEMBL9891735 0.80 CNR2 (0.48) CNR2HSD11B1PTGS2CYP1A2
SCHEMBL9891748 0.79 CNR2 (0.38) CNR2HTR7MAPTALDH1A1
SCHEMBL9891734 0.79 CRHBP (0.43) MEN1KMT2AGFERPOLBMAPT
SCHEMBL16480393 0.78 TDP1 (0.47) CNR2TDP1HSD11B1HTR7MEN1
SCHEMBL9891740 0.77 HDAC6 (0.42) CNR2MEN1KMT2AMAPK1CYP2C19

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 CNR2 1/4885TDP1 4464/4885HSD11B1 3537/4885

“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.