SCHEMBL3119992

SCHEMBL3119992

CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3noc4ccncc34)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.67
HTR2A P28223 18/20 0.67
DRD2 P14416 14/20 0.67
HTR1A P08908 1/20 0.57

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
SCHEMBL1985406 1.00 DRD3 (0.67) DRD3HTR2ADRD2HTR1A
SCHEMBL1989095 0.91 DRD2 (0.68) DRD3HTR2ADRD2HTR1A
SCHEMBL3111194 0.91 DRD2 (0.68) DRD3HTR2ADRD2HTR1A
SCHEMBL3112244 0.90 HTR2A (0.63) DRD3HTR2ADRD2
SCHEMBL1983216 0.90 HTR2A (0.63) DRD3HTR2ADRD2
SCHEMBL1983773 0.89 DRD2 (0.56) DRD3HTR2ADRD2
SCHEMBL3122644 0.89 DRD2 (0.56) DRD3HTR2ADRD2
SCHEMBL3112221 0.89 DRD2 (0.55) DRD3HTR2ADRD2HTR1A
SCHEMBL3112228 0.89 DRD2 (0.55) DRD3HTR2ADRD2HTR1A
SCHEMBL1969324 0.88 DRD3 (0.67) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825123-B2 Isoxazolo[4,5]pyridin-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US claimed
US-20100075981-A1 ISOXAZOLO[4,5]PYRIDIN-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US claimed
US-7825123-B2 Isoxazolo[4,5]pyridin-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
US-7825123-B2 Isoxazolo[4,5]pyridin-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
US-7825123-B2 Isoxazolo[4,5]pyridin-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
US-20100075981-A1 ISOXAZOLO[4,5]PYRIDIN-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
US-20100075981-A1 ISOXAZOLO[4,5]PYRIDIN-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
US-20100075981-A1 ISOXAZOLO[4,5]PYRIDIN-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS 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-20100075981-A1 ISOXAZOLO[4,5]PYRIDIN-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, HTR3A DRD3 1/4885HTR2A 36/4885DRD2 2/4885

“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.