SCHEMBL2615417

SCHEMBL2615417

CCN(CC)CC(=O)Nc1c(C)cc([18F])cc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.74
TSHR P16473 2/20 0.68
RAB9A P51151 1/20 0.68
ALDH1A1 P00352 5/20 0.67
MAPT P10636 3/20 0.67
LMNA P02545 3/20 0.67
CYP3A4 P08684 1/20 0.67
MAPK1 P28482 1/20 0.67
MC4R P32245 1/20 0.67
SCN4A P35499 1/20 0.67
MC3R P41968 1/20 0.67
HTR3A P46098 1/20 0.67
SCN5A Q14524 1/20 0.67
SCN9A Q15858 1/20 0.67
SCN3A Q9NY46 1/20 0.67
GAA P10253 3/20 0.65
BLM P54132 1/20 0.65
DRD3 P35462 1/20 0.47
PKM P14618 1/20 0.45
MEN1 O00255 3/20 0.43

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
SCHEMBL2615419 1.00 HPGD (0.74) HPGDTSHRRAB9AALDH1A1MAPT
SCHEMBL21264137 0.91 HPGD (0.62) HPGDTSHRRAB9AALDH1A1MAPT
Trimecaine SCHEMBL24692 0.87 HPGD (0.97) HPGDTSHRRAB9AALDH1A1MAPT
Trimecaine SCHEMBL1651359 0.85 HPGD (1.00) HPGDTSHRRAB9AALDH1A1MAPT
SCHEMBL21261833 0.85 HPGD (0.77) HPGDTSHRRAB9AALDH1A1MAPT
Trimecaine SCHEMBL28896832 0.85 HPGD (0.94) HPGDTSHRRAB9AALDH1A1MAPT
Trimecaine SCHEMBL28896992 0.84 HPGD (0.97) HPGDTSHRRAB9AALDH1A1MAPT
Trimecaine SCHEMBL28896917 0.84 HPGD (0.97) HPGDTSHRRAB9AALDH1A1MAPT
Trimecaine SCHEMBL28896834 0.84 HPGD (0.97) HPGDTSHRRAB9AALDH1A1MAPT
SCHEMBL11654851 0.84 HPGD (0.74) HPGDTSHRRAB9AALDH1A1MAPT

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS HPGD 3517/4885TSHR 784/4885RAB9A 236/4885

“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.