SCHEMBL18282665

SCHEMBL18282665

O=C(O)N1CCN(c2nsnc2N2CCCC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LIPA P38571 7/20 0.37
HPGD P15428 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL18282618 0.81 GBA1 (0.41) ALDH1A1LIPAMEN1KMT2ASMN1; SMN2
SCHEMBL20423495 0.77 ALDH1A1 (0.34) ALDH1A1LIPACYP1A2CYP3A4MEN1
Hydrochloric Acid SCHEMBL18282534 0.77 HTR6 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL18282613 0.76 LIPA (0.33) ALDH1A1LIPAHPGDHTTKDM4E
SCHEMBL18282570 0.76 ALDH1A1 (0.40) ALDH1A1LIPAHPGDMEN1KMT2A
SCHEMBL18282622 0.76 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL18282590 0.75 LIPA (0.39) ALDH1A1LIPAHPGDKMT2ALMNA
Hydrochloric Acid SCHEMBL18282554 0.75 GBA1 (0.38) ALDH1A1LIPALMNAMAPT
SCHEMBL18282553 0.74 LIPA (0.32) ALDH1A1LIPAHPGDKDM4EMAPT
SCHEMBL18282624 0.74 LIPA (0.32) ALDH1A1LIPAHPGDKDM4EMAPT

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-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
EP-3303327-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2018-04-11 EP disclosed
WO-2016193551-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2016-12-08 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 (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 ALDH1A1 972/4885LIPA 4869/4885HPGD 1937/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C ALDH1A1 972/4885LIPA 4869/4885HPGD 1937/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C ALDH1A1 972/4885LIPA 4869/4885HPGD 1937/4885

“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.