SCHEMBL3454085

SCHEMBL3454085

NC1CCC(CCN2CCN(c3noc4ccc(F)cc34)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.52
HTR1A P08908 4/20 0.52
DRD3 P35462 12/20 0.50
DRD2 P14416 5/20 0.50
HTR7 P34969 1/20 0.42

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
SCHEMBL3454086 1.00 HTR2A (0.52) HTR2AHTR1ADRD3DRD2HTR7
Hydrochloric Acid SCHEMBL1970321 0.99 HTR2A (0.51) HTR2AHTR1ADRD3DRD2HTR7
Hydrochloric Acid SCHEMBL1970325 0.99 HTR2A (0.51) HTR2AHTR1ADRD3DRD2HTR7
SCHEMBL13013944 0.92 HTR2A (0.56) HTR2AHTR1ADRD3DRD2HTR7
Hydrochloric Acid SCHEMBL1970211 0.91 HTR2A (0.55) HTR2AHTR1ADRD3DRD2HTR7
Hydrochloric Acid SCHEMBL1970209 0.91 HTR2A (0.55) HTR2AHTR1ADRD3DRD2HTR7
SCHEMBL14748229 0.89 HTR2A (0.51) HTR2AHTR1ADRD3DRD2HTR7
SCHEMBL13013938 0.87 HTR2A (0.50) HTR2AHTR1ADRD3DRD2HTR7
SCHEMBL14735719 0.87 HTR2A (0.53) HTR2AHTR1ADRD3DRD2HTR7
SCHEMBL14735718 0.87 HTR2A (0.53) HTR2AHTR1ADRD3DRD2HTR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 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-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HTR2A, HTR3A, HTR1A HTR2A 1/4885HTR1A 3/4885DRD3 9/4885

“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.