SCHEMBL7035220

SCHEMBL7035220

Cn1cnc2ccnc([S+]([O-])C3CCN(CCc4ccc(F)cc4)CC3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.39
HTR7 P34969 5/20 0.39
HTR2A P28223 4/20 0.39
HTR6 P50406 3/20 0.39
DRD1 P21728 4/20 0.37
HRH1 P35367 4/20 0.37
ADRA1B P35368 4/20 0.37
HTR2B P41595 4/20 0.37
DRD4 P21917 3/20 0.37
HRH2 P25021 3/20 0.37
HTR1D P28221 3/20 0.37
HTR1B P28222 3/20 0.37
SLC6A4 P31645 3/20 0.37
DRD2 P14416 3/20 0.37
ADRA2C P18825 2/20 0.37
DRD5 P21918 2/20 0.37
ADRA1A P35348 2/20 0.37
HTR5A P47898 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL7025857 0.84 HTR2A (0.39) HTR2CHTR7HTR2AHTR6DRD1
SCHEMBL7028860 0.78 HTR2A (0.41) HTR2CHTR7HTR2AHTR6KCNH2
SCHEMBL7029665 0.77 HTR2A (0.44) HTR2CHTR7HTR2AHTR6KCNH2
SCHEMBL7028572 0.76 HTR2A (0.47) HTR2CHTR7HTR2AHTR6DRD1
SCHEMBL7027400 0.76 HTR2C (0.43) HTR2CHTR7HTR2AHTR6DRD1
SCHEMBL7033515 0.76 HTR2A (0.38) HTR2CHTR7HTR2AHTR6DRD1
SCHEMBL7027090 0.74 HTR2A (0.52) HTR2CHTR7HTR2AHTR6KCNH2
SCHEMBL7025855 0.74 HTR2A (0.47) HTR2CHTR7HTR2AHTR6KCNH2
SCHEMBL7024025 0.73 HTR2A (0.46) HTR2CHTR7HTR2AHTR6DRD1
SCHEMBL7024120 0.72 HTR2A (0.44) HTR2CHTR7HTR2AHTR6KCNH2

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 HTR2C 5/4885HTR7 19/4885HTR2A 1/4885

“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.