SCHEMBL12424261

SCHEMBL12424261

CCC1CCC(NC(=O)CCC(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.40
HPGD P15428 2/20 0.39
DRD2 P14416 5/20 0.38
HTR2A P28223 4/20 0.38
KMT2A Q03164 2/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL12424344 0.86 HSD11B1 (0.40) DRD3HPGDDRD2HTR2AKMT2A
SCHEMBL12424493 0.81 RAB9A (0.38) DRD3HPGDDRD2HTR2AKMT2A
SCHEMBL25117891 0.80 MTNR1A (0.45) HPGDDRD2KMT2AMEN1MTNR1A
SCHEMBL12424425 0.78 EPHX1 (0.41) DRD3HPGDDRD2HTR2AKMT2A
SCHEMBL12820190 0.76 HSD11B1 (0.42) DRD3HPGDDRD2HTR2AKMT2A
SCHEMBL12424349 0.75 KAT8 (0.35) DRD3DRD2HTR2APKM
SCHEMBL22943926 0.74 ATM (0.46) DRD3DRD2KMT2AMEN1ALDH1A1
SCHEMBL22436160 0.74 SMN1; SMN2 (0.64) HPGDKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL25117890 0.74 ATM (0.46) DRD3DRD2KMT2AMEN1ALDH1A1
SCHEMBL26296778 0.74 ATM (0.46) DRD3DRD2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD3 3022/4885HPGD 223/4885DRD2 3564/4885

“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.