Sugi Predict

Sugi Predict / Compounds / SCHEMBL12631925

SCHEMBL12631925

SCHEMBL12631925

CC(C)(C)OC(=O)N1CCN(/C(=N/O)c2ccccc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ GPR119 Q8TDV5 3/20 0.44
▸ KDM1A O60341 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ KDM1B Q8NB78 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ DTYMK P23919 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41

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
SCHEMBL1966416 0.86 SMN1; SMN2 (0.45) POLBGPR119TP53THRBMEN1
SCHEMBL1966083 0.86 SMN1; SMN2 (0.45) POLBGPR119TP53THRBMEN1
SCHEMBL4473489 0.84 POLB (0.61) POLBTP53THRBMEN1KMT2A
SCHEMBL1865525 0.80 SMN1; SMN2 (0.40) POLBGPR119THRBMEN1KMT2A
SCHEMBL1865522 0.80 SMN1; SMN2 (0.40) POLBGPR119THRBMEN1KMT2A
SCHEMBL15566640 0.77 STS (0.54) GPR119TP53THRBMEN1KMT2A
SCHEMBL16111449 0.77 TP53 (0.61) GPR119TP53THRBMEN1KMT2A
SCHEMBL9934456 0.76 POLB (0.46) POLBGPR119KDM1ATP53THRB
SCHEMBL13872064 0.76 POLB (0.68) POLBGPR119TP53THRBCHRM2
SCHEMBL29760817 0.76 PARP1 (0.44) POLBGPR119KDM1ATP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (2 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 POLB 3451/4885GPR119 122/4885KDM1A 3375/4885
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HTR2A, HTR3A, HTR1A POLB 4487/4885GPR119 159/4885KDM1A 2335/4885

“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.