SCHEMBL12424344

SCHEMBL12424344

CC[C@H]1CC[C@@H](NC(=O)CC(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
HTR2A P28223 6/20 0.37
DRD3 P35462 6/20 0.37
DRD2 P14416 6/20 0.37
KDM5A P29375 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 3/20 0.35
EPHX2 P34913 1/20 0.34
HPGD P15428 2/20 0.33
FASN P49327 1/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL12820190 0.90 HSD11B1 (0.42) HSD11B1HTR2ADRD3DRD2KDM5A
SCHEMBL12424261 0.86 DRD3 (0.40) HTR2ADRD3DRD2PKMKMT2A
SCHEMBL25117891 0.81 MTNR1A (0.45) DRD2KMT2AEPHX2HPGDFASN
SCHEMBL17200019 0.80 HSD11B1 (0.46) HSD11B1HTR2ADRD3DRD2PKM
SCHEMBL12424436 0.80 HSD11B1 (0.42) HSD11B1HTR2ADRD3DRD2KDM5A
SCHEMBL15014553 0.80 HSD11B1 (0.42) HSD11B1HTR2ADRD3DRD2KDM5A
SCHEMBL15014487 0.76 EPHX1 (0.47) HSD11B1PKMKMT2AHPGDMEN1
SCHEMBL12424349 0.76 KAT8 (0.35) HTR2ADRD3DRD2PKMEPHX2
SCHEMBL22943926 0.75 ATM (0.46) DRD3DRD2KMT2AEPHX2FASN
SCHEMBL26296778 0.75 ATM (0.46) DRD3DRD2KMT2AEPHX2FASN

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HSD11B1 291/4885HTR2A 3028/4885DRD3 3022/4885

“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.