SCHEMBL16830451

SCHEMBL16830451

c1ccc2c(CN3CCNCCNCCNCC3)cccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
LMNA P02545 2/20 0.57
SLC6A4 P31645 1/20 0.54
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
TSHR P16473 2/20 0.51
HTR6 P50406 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
CYP1A2 P05177 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
NCF1 P14598 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL16689990 0.98 ACHE (0.62) ACHELMNASLC6A4DRD2DRD4
SCHEMBL29567963 0.98 ACHE (0.62) ACHELMNASLC6A4DRD2DRD4
SCHEMBL1020430 0.98 ACHE (0.62) ACHELMNASLC6A4DRD2DRD4
Bromide SCHEMBL9067059 0.97 ACHE (0.60) ACHELMNASLC6A4DRD2DRD4
SCHEMBL4160738 0.89 LMNA (0.53) ACHELMNASLC6A4DRD2DRD4
SCHEMBL4557182 0.84 LMNA (0.54) ACHELMNASLC6A4SIGMAR1HTR6
SCHEMBL3921135 0.82 ACHE (0.68) ACHELMNADRD2DRD4DRD3
SCHEMBL31392633 0.82 ACHE (0.68) ACHEDRD2DRD4DRD3TSHR
SCHEMBL2378007 0.82 TDP1 (0.55) LMNASLC6A4SIGMAR1TSHRHTR6
Formic Acid SCHEMBL4823937 0.82 ACHE (0.46) ACHELMNASLC6A4TSHRHTR6

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-10889554-B2 Excimer forming compounds THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2021-01-12 US disclosed
US-10889554-B2 Excimer forming compounds THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2021-01-12 US disclosed
US-20160304473-A1 EXCIMER FORMING COMPOUNDS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-10-20 US disclosed
US-20160304473-A1 EXCIMER FORMING COMPOUNDS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-10-20 US disclosed
US-20160304473-A1 EXCIMER FORMING COMPOUNDS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-10-20 US disclosed
WO-2015089639-A1 EXCIMER FORMING COMPOUNDS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-06-25 WO disclosed
WO-2015089639-A1 EXCIMER FORMING COMPOUNDS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-06-25 WO 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 (2 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-10889554-B2 Excimer forming compounds PHAX, RNMT, POLM ACHE 4809/4885LMNA 582/4885SLC6A4 2821/4885
US-20160304473-A1 EXCIMER FORMING COMPOUNDS PHAX, RNMT, POLM ACHE 4809/4885LMNA 582/4885SLC6A4 2821/4885

“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.