SCHEMBL3326708

SCHEMBL3326708

CON=C1CC2(CCC2)Oc2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
HTR2A P28223 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL3326706 1.00 HSD11B1 (0.42) HSD11B1KDM4EHTTATMHTR2A
SCHEMBL12409964 0.88 HTR2C (0.40) HSD11B1KDM4EHTTATMHTR2A
SCHEMBL620251 0.83 HSD11B1 (0.44) HSD11B1KDM4EHTTATMHTR2A
SCHEMBL620252 0.83 HSD11B1 (0.44) HSD11B1KDM4EHTTATMHTR2A
SCHEMBL6558688 0.81 HSD11B1 (0.44) HSD11B1KDM4EHTTATMHTR2A
SCHEMBL7825613 0.81 HSD11B1 (0.44) HSD11B1KDM4EHTTATMHTR2A
SCHEMBL7818526 0.80 KDM4E (0.44) HSD11B1KDM4EHTTATMHTR2A
SCHEMBL6559980 0.80 KDM4E (0.44) HSD11B1KDM4EHTTATMHTR2A
SCHEMBL12409994 0.78 HSD11B1 (0.50) HSD11B1KDM4EHTR2AKCNH2HDAC3
SCHEMBL12409886 0.77 HSD11B1 (0.47) HSD11B1KDM4EHTR2AHDAC3HDAC4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-06-04 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 (4 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 HSD11B1 3001/4885KDM4E 3931/4885HTT 2951/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 HSD11B1 3070/4885KDM4E 4032/4885HTT 3208/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 HSD11B1 3658/4885KDM4E 3257/4885HTT 3617/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 HSD11B1 2774/4885KDM4E 1079/4885HTT 565/4885

“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.