SCHEMBL7030766

SCHEMBL7030766

Cc1ccccc1SC1CCN(CCc2ccc(F)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.54
HTR2C P28335 17/20 0.54
KCNH2 Q12809 14/20 0.54
DRD2 P14416 10/20 0.54
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 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
SCHEMBL7031635 0.90 HTR2A (0.57) HTR2AHTR2CKCNH2DRD2
SCHEMBL7029919 0.88 KMT2A (0.47) HTR2AHTR2CKCNH2DRD2MEN1
SCHEMBL7028587 0.88 HTR2A (0.49) HTR2AHTR2CKCNH2DRD2
SCHEMBL7028390 0.86 HTR2A (0.54) HTR2AHTR2CKCNH2DRD2
SCHEMBL7029871 0.83 HTR2A (0.47) HTR2AHTR2CMEN1GAAKMT2A
SCHEMBL7031992 0.81 HTR2A (0.59) HTR2AHTR2CKCNH2DRD2
SCHEMBL7023948 0.80 KCNH2 (0.49) HTR2AHTR2CKCNH2DRD2
SCHEMBL7026523 0.80 HTR1A (0.40) HTR2AHTR2CKCNH2DRD2MEN1
SCHEMBL7031347 0.79 HTR2A (0.51) HTR2AHTR2CKCNH2DRD2
SCHEMBL7032530 0.76 HTR2A (0.52) HTR2AHTR2CKCNH2DRD2

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 5/4885KCNH2 914/4885

“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.