SCHEMBL1038534

SCHEMBL1038534

c1ccc(CC2COC(N3CCN(CCC4CCc5ccccc54)CC3)CO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.43
HTR6 P50406 1/20 0.39

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
SCHEMBL9467343 0.94 SIGMAR1 (0.51) SIGMAR1
SCHEMBL9466307 0.94 SIGMAR1 (0.51) SIGMAR1
SCHEMBL9174172 0.90 SIGMAR1 (0.43) SIGMAR1HTR6
SCHEMBL9175775 0.85 SIGMAR1 (0.45) SIGMAR1
SCHEMBL9467124 0.84 ALDH1A1 (0.36) HTR6
SCHEMBL9178363 0.82 SIGMAR1 (0.41) SIGMAR1
SCHEMBL9181626 0.81 PTGDR2 (0.39) HTR6
SCHEMBL9175467 0.78 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8303444 0.77 SIGMAR1 (0.55) SIGMAR1
SCHEMBL9178801 0.77 CRBN (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490772-B1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP claimed
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US claimed
US-20120115778-A1 Methods of Suppressing Appetite by the Administration of Antagonists of the Serotonin HTR1a or HTR2b Receptors or Inhibitors of TPH2 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-05-10 US disclosed
WO-2011009012-A1 METHODS OF SUPPRESSING APPETITE BY THE ADMINISTRATION OF ANTAGONISTS OF THE SEROTONIN HTR1a or HTR2b RECEPTORS OR INHIBITORS OF TPH2 COLUMBIA UNIVERSITY (US) 2011-01-20 WO disclosed
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 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-20120115778-A1 Methods of Suppressing Appetite by the Administration of Antagonists of the Serotonin HTR1a or HTR2b Receptors or Inhibitors of TPH2 HTR1A, HTR2B, HTR2A SIGMAR1 565/4885HTR6 12/4885

“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.