SCHEMBL7031032

SCHEMBL7031032

COc1ccccc1[S+]([O-])C1CCN(CCc2ccc(F)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.51
HTR2A P28223 9/20 0.51
HTR2C P28335 9/20 0.51
DRD2 P14416 6/20 0.51
SIGMAR1 Q99720 1/20 0.45
HRH3 Q9Y5N1 1/20 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
SCHEMBL7026552 0.91 HTR2A (0.55) KCNH2HTR2AHTR2CDRD2
SCHEMBL7032530 0.88 HTR2A (0.52) KCNH2HTR2AHTR2CDRD2
SCHEMBL7029662 0.84 HTR2A (0.53) KCNH2HTR2AHTR2CDRD2
SCHEMBL7026031 0.81 HTR2A (0.50) KCNH2HTR2AHTR2CDRD2SIGMAR1
SCHEMBL7031382 0.78 HTR1A (0.54) KCNH2HTR2AHTR2CDRD2SIGMAR1
SCHEMBL7029996 0.77 KCNH2 (0.45) KCNH2HRH3
SCHEMBL7033494 0.77 CACNA1G (0.40) KCNH2HTR2AHTR2CDRD2SIGMAR1
SCHEMBL7031674 0.76 HTR2A (0.47) HTR2AHTR2C
SCHEMBL7029654 0.76 HTR2A (0.70) KCNH2HTR2AHTR2CDRD2
SCHEMBL27565685 0.74 MAOA (0.39) KCNH2HTR2AHTR2CDRD2SIGMAR1

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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A KCNH2 914/4885HTR2A 1/4885HTR2C 5/4885

“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.