SCHEMBL3453333

SCHEMBL3453333

CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4noc5cc(F)c(Cl)cc45)CC3)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.68
DRD3 P35462 20/20 0.68
DRD2 P14416 6/20 0.61

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
SCHEMBL13448270 1.00 HTR2A (0.68) HTR2ADRD3DRD2
SCHEMBL1969009 1.00 HTR2A (0.68) HTR2ADRD3DRD2
SCHEMBL14748212 1.00 HTR2A (0.68) HTR2ADRD3DRD2
SCHEMBL1967014 0.94 HTR2A (0.77) HTR2ADRD3DRD2
SCHEMBL13448398 0.94 HTR2A (0.65) HTR2ADRD3DRD2
SCHEMBL3452804 0.94 HTR2A (0.77) HTR2ADRD3DRD2
SCHEMBL3453560 0.94 HTR2A (0.65) HTR2ADRD3DRD2
SCHEMBL1967327 0.94 HTR2A (0.65) HTR2ADRD3DRD2
SCHEMBL1966940 0.94 HTR2A (0.62) HTR2ADRD3DRD2
SCHEMBL3453209 0.94 HTR2A (0.62) HTR2ADRD3DRD2

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 10 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 claimed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US claimed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US claimed
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-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US 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
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 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 1/4885DRD3 9/4885DRD2 7/4885

“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.