SCHEMBL1967397

SCHEMBL1967397

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(c3noc4ccc(F)cc34)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.60
HTR2A P28223 16/20 0.60
DRD2 P14416 5/20 0.54
HTR1A P08908 1/20 0.49

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
SCHEMBL1967395 1.00 DRD3 (0.60) DRD3HTR2ADRD2HTR1A
SCHEMBL1967795 0.88 DRD2 (0.60) DRD3HTR2ADRD2HTR1A
SCHEMBL3781721 0.88 DRD2 (0.60) DRD3HTR2ADRD2HTR1A
SCHEMBL3453875 0.87 HTR2A (0.65) DRD3HTR2ADRD2HTR1A
SCHEMBL1864354 0.87 DRD2 (0.52) DRD3HTR2ADRD2HTR1A
SCHEMBL1866754 0.87 DRD2 (0.52) DRD3HTR2ADRD2HTR1A
SCHEMBL3453578 0.87 HTR2A (0.60) DRD3HTR2ADRD2
SCHEMBL1968037 0.87 HTR2A (0.60) DRD3HTR2ADRD2
SCHEMBL22303275 0.87 HTR2A (0.51) DRD3HTR2ADRD2HTR1A
SCHEMBL1971312 0.87 HTR2A (0.65) DRD3HTR2ADRD2HTR1A

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 9 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-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-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
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 DRD3 9/4885HTR2A 1/4885DRD2 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.