SCHEMBL1969684

SCHEMBL1969684

CCC(=O)NC1CCC(CCN2CCN(c3noc4cc(F)c(F)cc34)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.63
DRD3 P35462 19/20 0.63
DRD2 P14416 6/20 0.61
HTR1A P08908 1/20 0.56

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
SCHEMBL3453493 1.00 HTR2A (0.63) HTR2ADRD3DRD2HTR1A
SCHEMBL3453127 0.93 HTR2A (0.62) HTR2ADRD3DRD2HTR1A
SCHEMBL3453358 0.93 HTR2A (0.58) HTR2ADRD3DRD2HTR1A
SCHEMBL1970420 0.93 HTR2A (0.58) HTR2ADRD3DRD2HTR1A
SCHEMBL1965505 0.93 HTR2A (0.62) HTR2ADRD3DRD2HTR1A
SCHEMBL3453811 0.91 HTR2A (0.74) HTR2ADRD3DRD2HTR1A
SCHEMBL1968713 0.91 HTR2A (0.74) HTR2ADRD3DRD2HTR1A
SCHEMBL1968262 0.90 HTR2A (0.76) HTR2ADRD3DRD2HTR1A
SCHEMBL3453621 0.90 HTR2A (0.60) HTR2ADRD3DRD2
SCHEMBL3454158 0.90 HTR2A (0.76) HTR2ADRD3DRD2HTR1A

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
EP-2334657-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. Hoffmann-La Roche AG (CH) 2011-06-22 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
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO claimed
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
EP-2334657-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. Hoffmann-La Roche AG (CH) 2011-06-22 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
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO 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.