SCHEMBL7103560

SCHEMBL7103560

Fc1ccc(CCN2CCC(Sc3nccc4[nH]cnc34)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 5/20 0.44
KDM4B O94953 5/20 0.44
KDM5C P41229 5/20 0.44
KDM5B Q9UGL1 5/20 0.44
HTR2A P28223 4/20 0.41
HTR2C P28335 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 2/20 0.41
HTR1F P30939 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 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
SCHEMBL7106088 0.83 HTR2A (0.39) HTR2AHTR2CHTR7HTR6
SCHEMBL7032015 0.79 HTR2A (0.41) HTR2AHTR2CHTR7HTR6
SCHEMBL7026932 0.77 OPRM1 (0.45) HTR2AHTR2CHTR7HTR6
SCHEMBL7028860 0.75 HTR2A (0.41) HTR2AHTR2CHTR7HTR6
SCHEMBL7027681 0.75 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7026680 0.73 HTR2A (0.55) HTR2AHTR2CHTR7HTR6
SCHEMBL7027762 0.73 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7032885 0.72 HTR2A (0.46) HTR2AHTR2CHTR7HTR6
SCHEMBL7028399 0.72 PRCP (0.50) HTR2AHTR2CHTR7HTR6
SCHEMBL7029318 0.71 HTR2A (0.45) HTR2AHTR2CHTR7HTR6

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 KDM4A 1614/4885KDM4B 2068/4885KDM5C 948/4885

“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.