Sugi Predict

Sugi Predict / Compounds / SCHEMBL20423540

SCHEMBL20423540

SCHEMBL20423540

CN1CCN(c2nsnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ LIPA P38571 3/20 0.37
▸ DTYMK P23919 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ OPRM1 P35372 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
SCHEMBL18282531 0.81 MAPK1 (0.41) GBA1MAPTALDH1A1LMNAGPR119
SCHEMBL18282618 0.81 GBA1 (0.41) GBA1MAPTALDH1A1LMNAMAP4K4
SCHEMBL20423972 0.80 USP2 (0.42) GBA1MAPTALDH1A1LMNAMAP4K4
SCHEMBL18282608 0.80 SMARCA2 (0.49) GBA1MAPTALDH1A1LMNAGPR119
SCHEMBL18282640 0.79 MAPT (0.42) GBA1MAPTALDH1A1LMNAMAP4K4
SCHEMBL18282666 0.79 GPR119 (0.40) GBA1MAPTALDH1A1LMNAGPR119
SCHEMBL2384235 0.78 POLB (0.48) GBA1MAPTALDH1A1LMNAGPR119
SCHEMBL18282513 0.76 GBA1 (0.43) GBA1MAPTALDH1A1LMNAGPR119
SCHEMBL18282671 0.76 KIT (0.46) GBA1MAPTALDH1A1LMNAGPR119
SCHEMBL18282583 0.75 KIT (0.43) GBA1MAPTALDH1A1LMNAGPR119

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
CN-107709316-B 2- (1-heteroarylpiperazin-4-yl) methyl-1, 4-benzodioxane derivatives as alpha 2C antagonists 奥赖恩公司 2021-08-17 — — CN disclosed
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists ORION CORPORATION (FI) 2020-09-15 — — US disclosed
EP-3303327-B1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORP (FI) 2020-03-11 — — EP disclosed
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2019-09-26 — — US disclosed
US-20180215739-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2018-08-02 — — 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 (3 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-20180215739-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C GBA1 1207/4885MAPT 3050/4885ALDH1A1 972/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C GBA1 1207/4885MAPT 3050/4885ALDH1A1 972/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C GBA1 1207/4885MAPT 3050/4885ALDH1A1 972/4885

“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.