Sugi Predict

Sugi Predict / Compounds / SCHEMBL1865522

SCHEMBL1865522

SCHEMBL1865522

CC(C)(C)OC(=O)N1CCN(/C(=N/O)c2cc(F)cc(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1865523 1.00 SMN1; SMN2 (0.40) SMN1; SMN2DPP4CES2CES1GPR119
SCHEMBL1865525 1.00 SMN1; SMN2 (0.40) SMN1; SMN2DPP4CES2CES1GPR119
SCHEMBL1966416 0.86 SMN1; SMN2 (0.45) SMN1; SMN2GPR119POLBF13A1TGM2
SCHEMBL1966083 0.86 SMN1; SMN2 (0.45) SMN1; SMN2GPR119POLBF13A1TGM2
SCHEMBL12631925 0.80 POLB (0.47) GPR119POLBMEN1KMT2AMAPT
SCHEMBL14035484 0.73 CYP3A4 (0.46) SMN1; SMN2DPP4GPR119F13A1TGM2
SCHEMBL20140111 0.72 MAPT (0.54) SMN1; SMN2DPP4GPR119F13A1TGM2
SCHEMBL3089588 0.72 MEN1 (0.52) SMN1; SMN2GPR119POLBMEN1KMT2A
SCHEMBL2846468 0.72 KDM4E (0.55) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL671902 0.72 ALDH1A1 (0.48) SMN1; SMN2GPR119F13A1TGM2TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344482-B1 BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2012-08-15 — — EP disclosed
US-7939535-B2 Benzo[D]isoxazol-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors HOFFMAN-LA ROCHE INC. (US) 2011-05-10 — — US disclosed
US-7939535-B2 Benzo[D]isoxazol-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors HOFFMAN-LA ROCHE INC. (US) 2011-05-10 — — US disclosed
US-20100075985-A1 BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-03-25 — — US disclosed
US-20100075985-A1 BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 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-20100075985-A1 BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, DRD1 SMN1; SMN2 3800/4885DPP4 1116/4885CES2 1889/4885

“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.