SCHEMBL7025857

SCHEMBL7025857

Cn1cnc2c([S+]([O-])C3CCN(CCc4ccc(F)cc4)CC3)nccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.39
HTR2C P28335 4/20 0.39
HTR7 P34969 3/20 0.39
HTR6 P50406 2/20 0.39
TMEM97 Q5BJF2 2/20 0.37
OPRM1 P35372 1/20 0.37
KCNH2 Q12809 2/20 0.37
KCNJ1 P48048 1/20 0.37
GRM2 Q14416 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
DRD1 P21728 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
KCNQ1 P51787 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
SCHEMBL7035220 0.84 HTR2C (0.39) HTR2AHTR2CHTR7HTR6TMEM97
SCHEMBL7033515 0.80 HTR2A (0.38) HTR2AHTR2CHTR7HTR6TMEM97
SCHEMBL7032015 0.78 HTR2A (0.41) HTR2AHTR2CHTR7HTR6
SCHEMBL7029665 0.77 HTR2A (0.44) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL7028572 0.76 HTR2A (0.47) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL7025855 0.76 HTR2A (0.47) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL7030349 0.76 HTR2A (0.43) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL7027090 0.74 HTR2A (0.52) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL7024025 0.73 HTR2A (0.46) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL7024120 0.72 HTR2A (0.44) HTR2AHTR2CHTR7HTR6KCNH2

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

“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.