SCHEMBL5647568

SCHEMBL5647568

O=S(=O)(NCCF)c1ccc(CCN2CC=C(c3c[nH]c(-c4ccc(F)cc4)c3-c3ccncc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.50
DRD2 P14416 17/20 0.50
SLC6A4 P31645 17/20 0.50
HTR7 P34969 17/20 0.50
HTR6 P50406 17/20 0.50
SIGMAR1 Q99720 2/20 0.47
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
Hydrochloric Acid SCHEMBL5649054 1.00 HTR1A (0.50) HTR1ADRD2SLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL5647767 0.94 HTR1A (0.50) HTR1ADRD2SLC6A4HTR7HTR6
SCHEMBL5647910 0.93 HTR1A (0.49) HTR1ADRD2SLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL5652371 0.93 HTR1A (0.49) HTR1ADRD2SLC6A4HTR7HTR6
SCHEMBL5648872 0.92 SIGMAR1 (0.48) HTR1ADRD2SLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL5652479 0.92 SIGMAR1 (0.48) HTR1ADRD2SLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL5649149 0.91 HTR1A (0.48) HTR1ADRD2SLC6A4HTR7HTR6
SCHEMBL5650548 0.91 HTR1A (0.48) HTR1ADRD2SLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL5652471 0.91 HTR1A (0.48) HTR1ADRD2SLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL5650454 0.90 SIGMAR1 (0.49) HTR1ADRD2SLC6A4HTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US claimed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP claimed
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 HTR1A 1589/4885DRD2 1867/4885SLC6A4 3284/4885

“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.