SCHEMBL5650987

SCHEMBL5650987

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
HTR1A P08908 10/20 0.45
DRD2 P14416 10/20 0.45
SLC6A4 P31645 10/20 0.45
HTR7 P34969 10/20 0.45
HTR6 P50406 10/20 0.45
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 SCHEMBL5650454 1.00 SIGMAR1 (0.49) SIGMAR1HTR1ADRD2SLC6A4HTR7
SCHEMBL5648872 0.92 SIGMAR1 (0.48) SIGMAR1HTR1ADRD2SLC6A4HTR7
Hydrochloric Acid SCHEMBL5652479 0.92 SIGMAR1 (0.48) SIGMAR1HTR1ADRD2SLC6A4HTR7
Hydrochloric Acid SCHEMBL5649872 0.92 SIGMAR1 (0.48) SIGMAR1HTR1ADRD2SLC6A4HTR7
Hydrochloric Acid SCHEMBL5652069 0.92 SIGMAR1 (0.47) SIGMAR1HTR1ADRD2SLC6A4HTR7
SCHEMBL5646922 0.92 SIGMAR1 (0.47) SIGMAR1HTR1ADRD2SLC6A4HTR7
Hydrochloric Acid SCHEMBL5647861 0.92 SIGMAR1 (0.47) SIGMAR1HTR1ADRD2SLC6A4HTR7
SCHEMBL5647452 0.91 SIGMAR1 (0.52) SIGMAR1HTR1ADRD2SLC6A4HTR7
SCHEMBL5647910 0.91 HTR1A (0.49) SIGMAR1HTR1ADRD2SLC6A4HTR7
Hydrochloric Acid SCHEMBL5652371 0.91 HTR1A (0.49) SIGMAR1HTR1ADRD2SLC6A4HTR7

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 SIGMAR1 539/4885HTR1A 1589/4885DRD2 1867/4885

“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.